SCHEMBL28295475

SCHEMBL28295475

CCCCNc1ccccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM6B O15054 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ PLK1 P53350 1/20 0.52
▸ MAPK8 P45983 2/20 0.52
▸ CNR2 P34972 4/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ AGTR1 P30556 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL993102 0.91 HPGD (0.65) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL28295487 0.88 PLK1 (0.47) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL28650424 0.87 APEX1 (0.50) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL28293667 0.86 PLK1 (0.52) HPGDCYP2C9ALDH1A1KDM6BKDM4C
SCHEMBL9279131 0.86 KMT2A (0.56) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL466141 0.86 PLK1 (0.63) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL28655003 0.85 KDM4E (0.53) HPGDCYP2C9ALDH1A1KDM6BKDM4C
SCHEMBL28669036 0.85 KDM4C (0.78) KDM6BKDM4CMAPK8KDM4E
SCHEMBL10475728 0.84 PLK1 (0.66) HPGDCYP2C9ALDH1A1HSD17B10KDM6B
SCHEMBL11437269 0.84 PLK1 (0.66) HPGDCYP2C9ALDH1A1HSD17B10KDM6B

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-109651179-B 2- (2-aminobenzoyl) benzoic acid derivatives and process for preparing the same 厦门华厦学院 2021-12-03 — — CN disclosed
CN-109651179-A 2- (2- amino benzoyl) benzoic acid derivative and preparation method thereof 厦门华厦学院 2019-04-19 — — CN disclosed
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