SCHEMBL28032023

SCHEMBL28032023

CCc1cc(Oc2ccc(C(=O)O)c(CC)c2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43

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
SCHEMBL687106 0.87 KDM4E (0.53) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL686360 0.85 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AAKR1C3
SCHEMBL21218780 0.85 KDM4E (0.53) KDM4EALDH1A1RAB9AGABRPGABRD
SCHEMBL10480044 0.85 KDM4E (0.67) KDM4EALDH1A1RAB9ACYP2C19TDP1
SCHEMBL28032582 0.85 POLB (0.47) POLBKDM4EALDH1A1CYP2C9NPC1
SCHEMBL4216073 0.84 PTPN11 (0.45) KDM4EALDH1A1GABRPGABRDGABRA1
SCHEMBL5121657 0.84 ALDH1A1 (0.69) POLBKDM4EALDH1A1CYP2C9GABRP
Alcohol SCHEMBL28006228 0.84 SMN1; SMN2 (0.54) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL28822377 0.83 POLB (0.46) POLBKDM4EALDH1A1CYP2C9NPC1
SCHEMBL5831345 0.83 POLB (0.42) POLBKDM4EALDH1A1CYP2C9NPC1

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-104968704-B Process for producing polyarylate 三菱瓦斯化学株式会社 2016-12-14 CN disclosed
CN-104968704-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 CN disclosed