SCHEMBL9716877

SCHEMBL9716877

O=C(O)c1ccc(OC2(Oc3ccc(C(=O)O)c(C(=O)O)c3)C=CC(c3ccccc3)=CC2)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MCL1 Q07820 3/20 0.37
GALK1 P51570 1/20 0.37
CASP6 P55212 1/20 0.37
PLEC Q15149 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PYGL P06737 7/20 0.34
PYGM P11217 6/20 0.34
ACMSD Q8TDX5 3/20 0.33
HNF4A P41235 2/20 0.33
DHFR P00374 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPSE Q9Y251 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4675282 0.89 GALK1 (0.36) POLBALDH1A1MCL1GALK1CASP6
SCHEMBL27951967 0.82 GALK1 (0.32) MCL1GALK1CASP6PLECTDP1
SCHEMBL5267433 0.81 POLB (0.50) POLBALDH1A1MCL1GALK1CASP6
SCHEMBL10382629 0.79
SCHEMBL10440247 0.79 LTA4H (0.37)
SCHEMBL713923 0.78 ALOX15 (0.33) POLBALDH1A1HSD17B10KDM4EALOX15
SCHEMBL1119476 0.76 MAOA (0.37) ALDH1A1TDP1HSD17B10
SCHEMBL28643208 0.76 ALDH1A1 (0.37) POLBALDH1A1PYGLPYGMHPSE
SCHEMBL29720375 0.75 MAOB (0.41) POLBALDH1A1KDM4E
SCHEMBL1270085 0.75 MAOB (0.41) POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135990-A Amine-terminated polyetherimides and polyesters; molding materials; tensile strength GENERAL ELECTRIC COMPANY (US) 1992-08-04 US disclosed