SCHEMBL11665566

SCHEMBL11665566

[CH2]CC(OC)C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ CASR P41180 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL11662273 0.82 CA4 (0.37) CNR1MAOAL3MBTL1ATMLMNA
SCHEMBL11611825 0.79 CASR (0.39) CNR1CASRMEN1KMT2AKDM4E
SCHEMBL11665133 0.75 CASR (0.35) MAOBCASRAOC3
SCHEMBL24225606 0.74 ALDH1A1 (0.37) NFE2L2CNR1MAOAMAOBCASR
SCHEMBL11664314 0.71 TAAR1 (0.34) MAOBCASRAOC3MEN1KMT2A
SCHEMBL11664076 0.71 NFE2L2 (0.37) NFE2L2CASR
SCHEMBL11660378 0.71 CNR1 (0.38) CNR1CASRAOC3MEN1KMT2A
SCHEMBL11611160 0.69 NFE2L2 (0.33) NFE2L2MAOBCASRL3MBTL1ALDH1A1
SCHEMBL3160868 0.69 NFE2L2 (0.39) NFE2L2CNR1MAOAMAOBCASR
SCHEMBL4977051 0.68 NFE2L2 (0.41) NFE2L2MAOAMAOBCASRL3MBTL1

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
Send feedback