SCHEMBL7828458

SCHEMBL7828458

CC(=O)Nc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
POLB P06746 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 7/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
MASP2 O00187 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL3655894 0.88 POLB (0.56) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL31046806 0.88 PTPN11 (0.55) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL25258585 0.88 PTPN11 (0.55) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL950942 0.88 POLB (0.62) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL11796151 0.87 MMP2 (0.52) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL2113108 0.87 ALDH1A1 (0.57) HSD17B10POLBCYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9056132 0.85 MMP2 (0.50) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL10397861 0.84 ALDH1A1 (0.48) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL17799564 0.82 KDM4E (0.62) HSD17B10POLBNAPRTCYP2C19ALDH1A1
SCHEMBL29071479 0.82 BDKRB1 (0.48) NAPRTALDH1A1MEN1KMT2A

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed