SCHEMBL6058867

SCHEMBL6058867

CCCCCc1ccc2cc3ccccc3cc2c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.42
ESR2 Q92731 6/20 0.42
DHFR P00374 1/20 0.42
TLR8 Q9NR97 4/20 0.41
GCGR P47871 2/20 0.41
MAPT P10636 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL6058808 0.86 DHFR (0.44) ESR1ESR2DHFRTLR8GCGR
SCHEMBL28057881 0.85 ESR1 (0.47) ESR1ESR2DHFRTLR8GCGR
SCHEMBL28223660 0.85 TLR8 (0.39) ESR1ESR2TLR8
SCHEMBL28091048 0.85 DHFR (0.47) DHFRTLR8GCGRMAPTGPR84
SCHEMBL28226794 0.85 DHFR (0.47) DHFRTLR8GCGRMAPTGPR84
SCHEMBL28053356 0.85 DHFR (0.47) DHFRTLR8GCGRMAPTGPR84
Phosphine SCHEMBL28240083 0.84 DHFR (0.46) DHFRTLR8GCGRMAPTGPR84
SCHEMBL15349403 0.83 GCGR (0.43) ESR1ESR2DHFRTLR8GCGR
SCHEMBL27763551 0.83 ESR1 (0.41) ESR1ESR2DHFRMAPTKDM4E
SCHEMBL28184786 0.82 DHFR (0.42) ESR1ESR2DHFRTLR8GCGR

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
EP-1268588-A4 ETHYLENE-AROMATIC VINYL COMPOUND-VINYL NORBONENE TERPOLYMER SAMSUNG ATOFINA CO LTD (KR) 2006-03-29 EP disclosed
EP-1268588-A1 ETHYLENE-AROMATIC VINYL COMPOUND-VINYL NORBONENE TERPOLYMER Samsung General Chemicals Co., Ltd. (KR) 2003-01-02 EP disclosed
WO-2001046282-A1 ETHYLENE-AROMATIC VINYL COMPOUND-VINYL NORBONENE TERPOLYMER SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2001-06-28 WO disclosed