SCHEMBL28293667

SCHEMBL28293667

CCCCNc1cc(C)ccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 9/20 0.52
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ KDM6B O15054 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PLK3 Q9H4B4 1/20 0.45
▸ CISD1 Q9NZ45 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPK8 P45983 1/20 0.44

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
SCHEMBL28293669 0.92 PLK1 (0.54) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL28295487 0.91 PLK1 (0.47) PLK1POLBALDH1A1KDM4EGAA
SCHEMBL9824061 0.88 PLK1 (0.64) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL28295475 0.86 HPGD (0.55) PLK1POLBALDH1A1KDM4EGAA
SCHEMBL28655003 0.86 KDM4E (0.53) POLBALDH1A1KDM4EGAACNR1
SCHEMBL28110422 0.84 PLK1 (0.67) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL28650424 0.80 APEX1 (0.50) PLK1POLBALDH1A1KDM4EGAA
SCHEMBL28669036 0.79 KDM4C (0.78) KDM4EKDM6BKDM4CMAPK8
SCHEMBL993102 0.77 HPGD (0.65) PLK1POLBALDH1A1KDM4ECNR2
SCHEMBL28109945 0.75 PLK1 (0.67) PLK1PLK3CISD1

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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