SCHEMBL2413

SCHEMBL2413

[CH2]c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP2D6 P10635 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ATM Q13315 1/20 0.45
CMA1 P23946 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SLC6A4 P31645 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 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
SCHEMBL14696834 0.98 CYP3A4 (0.52) CYP3A4MAPTCYP1A2ALDH1A1HSD17B10
SCHEMBL360107 0.85 LMNA (0.48) MAPTCYP1A2ATMKDM4ELMNA
SCHEMBL6291802 0.82 CA12 (0.56) CYP3A4MAPTALDH1A1HSD17B10MEN1
SCHEMBL97600 0.81 NPC1 (0.44) MAPTALDH1A1TDP1KMT2AKDM4E
SCHEMBL7732318 0.79 MAPT (0.59) MAPTKMT2AKDM4ELMNAGAA
SCHEMBL3608296 0.78 PTGS2 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1486215 0.72 CYP3A4 (0.56) CYP3A4MAPTCYP1A2ALDH1A1HSD17B10
SCHEMBL8930679 0.71 ABCG2 (0.53) CYP3A4MAPTCYP1A2ALDH1A1HSD17B10
SCHEMBL8163694 0.70 CYP3A4 (0.54) CYP3A4MAPTCYP1A2ALDH1A1HSD17B10
SCHEMBL8530719 0.70 CYP3A4 (0.54) CYP3A4MAPTCYP1A2ALDH1A1HSD17B10

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 17350 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344330-A Piperonal (PPO) production process 宿迁市万和泰化工有限公司 2024-07-16 CN claimed
CN-118338791-A Aldehyde mixtures for improved flavor 西姆莱斯有限公司 2024-07-12 CN claimed
CN-118290433-A Preparation method and application of chiral dihydrofuran [3,4-b ] quinoline-1 (3H) -ketone 南开大学 2024-07-05 CN claimed
CN-118002197-B Palladium catalyst and preparation method and application thereof 山东新和成药业有限公司 2024-07-02 CN claimed
CN-117680038-B Plant raw juice extraction equipment based on microwave heating and process thereof 北京露华本草生物科技有限公司 2024-06-28 CN claimed
CN-118233093-A Information multimode encryption and decryption method based on europium nano-aggregate fluorescent non-woven fabric 青岛大学 2024-06-21 CN claimed
CN-118206467-A Alkyl azide chiral allyl ester compound and preparation method thereof 武汉光化学技术研究院 2024-06-18 CN claimed
CN-117986202-B 1,2, 4-Thiadiazolidine-3, 5-dione compound with PTPN2 inhibitory activity, and preparation method and application thereof 中国药科大学 2024-06-14 CN claimed
CN-118146187-A Method for preparing heliotropin 福建仁宏医药化工有限公司 2024-06-07 CN claimed
WO-2024114260-A1 BINARY INSECTICIDE COMPOSITION AND USE THEREOF 沈阳中化农药化工研发有限公司 2024-06-06 WO claimed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 US claimed
US-4214909-A SESQUITERPENE ALCOHOLS AND CARBOXYLIC ACID ESTERS THEREOF KURARAY CO., LTD. (JP) 1980-07-29 US claimed
US-4183942-A Insecticidal (β-phenyl-β-substituted-vinyl)cyclopropanecarboxylates FMC CORPORATION (US) 1980-01-15 US claimed
US-4160842-A Insecticidal [β-(substituted-phenyl)vinyl]cyclopropanecarboxylates FMC CORPORATION (US) 1979-07-10 US claimed
US-4157397-A RESISTANT TO PHOTOOXIDATIVE DEGRADATION FMC CORPORATION (US) 1979-06-05 US claimed
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US claimed
US-4148895-A HYPOTENSIVE, ANTIARRHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-10 US claimed
US-4144250-A Herbicidal active carboxanilide derivatives STAUFFER CHEMICAL COMPANY (US) 1979-03-13 US claimed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US claimed
US-3950339-A SUBSTITUTED-2-(PYRIMIDINYLTHIO)ACETAMIDOXIMES AND ACETONITRILES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-04-13 US claimed