SCHEMBL7968606

SCHEMBL7968606

CCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCS3(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
ACACB O00763 1/20 0.35
THRA P10827 1/20 0.34
ALPL P05186 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 2/20 0.34
APP P05067 1/20 0.34
EPHX2 P34913 1/20 0.34
NPC1 O15118 1/20 0.33
CCR5 P51681 3/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7975157 0.93 RARB (0.40) MAPTRARBRARAALPLKDM4E
SCHEMBL7928473 0.91 ALPL (0.43) MAPTRARBRARAGAAALPL
SCHEMBL7934085 0.91 PLA2G2A (0.39) MAPTALDH1A1GAAHPGDACACB
SCHEMBL7922057 0.91 MAPT (0.42) MAPTALDH1A1GAAHPGDRECQL
SCHEMBL7958827 0.90 RARB (0.42) RARBRARAACACBTHRAKDM4E
SCHEMBL7222803 0.88 NPC1 (0.38) MAPTALDH1A1HPGDACACBKDM4E
SCHEMBL7249525 0.87 RARB (0.39) RARBRARAACACBRAB9ANPC1
SCHEMBL7934163 0.84 KDM4E (0.45) MAPTALDH1A1HPGDRECQLALPL
SCHEMBL7246973 0.84 KCNH2 (0.39) MAPTACACBRAB9ANPC1
SCHEMBL7216131 0.83 MAPT (0.36) MAPTRARBRARAACACBALPL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed