SCHEMBL30353210

SCHEMBL30353210

CCOc1cc(F)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CLEC4M Q9H2X3 1/20 0.42
▸ CSNK2A2 P19784 4/20 0.41
▸ CSNK2B P67870 4/20 0.41
▸ CSNK2A1 P68400 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL8332461 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2971885 0.79 ALDH1A1 (0.73) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30353211 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDCYP1A2LMNA
SCHEMBL400105 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDCYP1A2LMNA
SCHEMBL29801772 0.75 CYP1A2 (0.76) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL22492359 0.75 CYP1A2 (0.76) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6693441 0.75 CYP1A2 (0.64) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30593848 0.75 CSNK2A2 (0.57) KDM4EALDH1A1HPGDCYP1A2LMNA
SCHEMBL10760134 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL10932172 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDCYP1A2CYP3A4

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-113533569-B Method for detecting related substances in antibacterial eye drops 山东诺明康药物研究院有限公司 2023-04-11 — — CN claimed
CN-113533569-B Method for detecting related substances in antibacterial eye drops 山东诺明康药物研究院有限公司 2023-04-11 — — CN disclosed
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