SCHEMBL9338994

SCHEMBL9338994

Cc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)ccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.80
CA1 P00915 4/20 0.62
CA9 Q16790 4/20 0.62
CA12 O43570 2/20 0.62
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.56
GFER P55789 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
TSHR P16473 1/20 0.54
PTGER4 P35408 1/20 0.54
RECQL P46063 1/20 0.53
S100B P04271 1/20 0.53

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
SCHEMBL10518628 0.87 NPSR1 (0.67) NPSR1CA1CA9CA12CA2
SCHEMBL11719744 0.85 NPSR1 (0.58) NPSR1CA1CA9CA12CA2
SCHEMBL5010584 0.84 CA9 (0.85) NPSR1CA1CA9CA12CA2
SCHEMBL9339007 0.83 CA9 (0.77) NPSR1CA1CA9CA12CA2
SCHEMBL9339008 0.83 HPSE (0.65) NPSR1CA1CA9CA12CA2
SCHEMBL5010574 0.83 ALDH1A1 (0.70) NPSR1CA1CA9CA12HPGD
SCHEMBL11721574 0.82 NPSR1 (0.54) NPSR1CA1CA9CA12CA2
SCHEMBL4234750 0.82 CA9 (0.77) NPSR1CA1CA9CA12CA2
SCHEMBL11724970 0.81 MEN1 (0.70) NPSR1CA9CA12HPGDTDP1
SCHEMBL10606077 0.80 NPSR1 (0.69) NPSR1CA1CA9CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252415-B1 Novel polyester polymers IDEMITSU KOSAN CO (JP) 1994-06-08 EP claimed
US-4749775-A PET, ACYLOXY-AROMATIC CARBOXYLIC ACID, DIESTERS, DIIMIDE-DICARBOXYLIC REACTANTS IDEMITSU KOSAN CO., LTD. (JP) 1988-06-07 US claimed
EP-0252415-A2 Novel polyester polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-01-13 EP claimed
EP-0252415-B1 Novel polyester polymers IDEMITSU KOSAN CO (JP) 1994-06-08 EP disclosed
US-4749775-A PET, ACYLOXY-AROMATIC CARBOXYLIC ACID, DIESTERS, DIIMIDE-DICARBOXYLIC REACTANTS IDEMITSU KOSAN CO., LTD. (JP) 1988-06-07 US disclosed
EP-0252415-A2 Novel polyester polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-01-13 EP disclosed