SCHEMBL49992

SCHEMBL49992

CCCCOc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
NR5A1 Q13285 1/20 0.53
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL27649786 0.98 LTA4H (0.53) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL28106770 0.98 LTA4H (0.53) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL2089077 0.94 LTA4H (0.66) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL60563 0.93 NR5A1 (0.57) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL28301662 0.92 LTA4H (0.48) LTA4HNR5A1CYP2D6CYP3A4TSHR
Magnesium Chloride Anhydrous SCHEMBL28223605 0.92 LTA4H (0.48) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL991126 0.92 NR5A1 (0.52) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL77477 0.91 NR5A1 (0.60) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL9121701 0.91 NR5A1 (0.60) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL309133 0.91 NR5A1 (0.60) LTA4HNR5A1TSHRRAB9AGAA

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 5885 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964602-A Benzothiophene ketone derivative and preparation method and application thereof 广州医科大学 2024-05-03 CN claimed
CN-117820091-A Kevlene derivative and synthesis method thereof 青岛科技大学 2024-04-05 CN claimed
CN-114206886-B Gold (III) compound, method for preparing the same, and organic light emitting device using the same 广东聚华印刷显示技术有限公司 2024-02-27 CN claimed
CN-117486836-A Preparation method of 2-aryl-3-carbonyl substituted tetrahydrofuran and tetrahydropyran compound 遵义医科大学 2024-02-02 CN claimed
WO-2023239709-A2 TARGETING AN ENZYME REQUIRED FOR ACUTE MYELOID LEUKEMIA ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-14 WO claimed
CN-111587403-B Composition for hard mask 东友精细化工有限公司 2023-09-19 CN claimed
US-20230233536-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA QURETECH BIO AB (SE) 2023-07-27 US claimed
CN-116356354-A Preparation method of 2-aryl-3-sulfonyl substituted tetrahydropyrrole and piperidine compounds 遵义医科大学 2023-06-30 CN claimed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0074523-B1 LIQUID CRYSTAL MATERIALS CONTAINING ANTHRAQUINONE DYES, AND ANTHRAQUINONE DYES BAYER AG (DE) 1987-06-24 EP claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
EP-0074523-A1 Liquid crystal materials containing anthraquinone dyes, and anthraquinone dyes BAYER AG (DE) 1983-03-23 EP claimed
US-4365032-A ANTIOXIDANTS FOR POLYMERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-12-21 US claimed
US-4360583-A High resolution video storage disk INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1982-11-23 US claimed
EP-0054109-A2 A video storage disk and a method of preparing the same International Business Machines Corporation (US) 1982-06-23 EP claimed
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 US claimed
US-4001137-A Nematic compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US claimed
US-3962256-A ANALGESICS, HYPOTENSIVES, ANTIINFLAMMATORY AGENTS DELALANDE S.A. (FR) 1976-06-08 US claimed