SCHEMBL28565323

SCHEMBL28565323

CCCCc1ccc(C(=O)O)c(C)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
RARB P10826 2/20 0.41
CNR2 P34972 2/20 0.40
DHODH Q02127 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL28360757 0.88 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6897145 0.85 BID (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11323683 0.84 RARB (0.49) RARBBIDMCL1BCL2L1BAK1
SCHEMBL27599806 0.82 BID (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8674376 0.82 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27419131 0.78 BID (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9943811 0.78 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4826258 0.78 BID (0.52) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL11117955 0.77 GCGR (0.51) RARBBIDMCL1BCL2L1BAK1
SCHEMBL6772372 0.77 ALDH1A1 (0.50) TSHRALDH1A1MCL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN disclosed