SCHEMBL108121

SCHEMBL108121

[CH2]CCCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
CYP2D6 P10635 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
MTNR1A P48039 2/20 0.46
NQO2 P16083 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 2/20 0.44
ACP3 P15309 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL134471 0.94 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL304711 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL304716 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL302715 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL303705 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL303785 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL302931 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL303608 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL303906 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL302935 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2113 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO claimed
CN-116120919-A Triplet-triplet annihilation up-conversion luminescent material based on thermal activation and preparation and application thereof 中国科学院理化技术研究所 2023-05-16 CN claimed
US-11530234-B2 CD73 inhibitors and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-20 US claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
EP-3849992-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-07-21 EP claimed
US-20210139526-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2021-05-13 US claimed
CN-112771061-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2021-05-07 CN claimed
US-10881681-B2 CD73 inhibitors and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-01-05 US claimed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN claimed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO claimed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
EP-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 EP claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
US-4119726-A ANTISECRETORY AGENTS, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-10-10 US claimed