SCHEMBL4775807

SCHEMBL4775807

Cc1cc(C)cc(/C(=C/O)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
HCAR1 Q9BXC0 1/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HPGD P15428 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL4775816 1.00 TPMT (0.54) TPMTHCAR1RXRARXRBHPGD
SCHEMBL4768154 0.74 CES2 (0.50) HCAR1HCAR2CNR2ALDH1A1POLB
SCHEMBL4768159 0.74 CES2 (0.50) HCAR1HCAR2CNR2ALDH1A1POLB
SCHEMBL9073906 0.74 TPMT (0.54) TPMTHCAR1RXRARXRBHPGD
SCHEMBL9073909 0.74 TPMT (0.54) TPMTHCAR1RXRARXRBHPGD
SCHEMBL29062365 0.72 TPMT (0.64) TPMTHCAR1RXRARXRBHPGD
SCHEMBL221684 0.71 TPMT (1.00) TPMTHCAR1RXRARXRBHPGD
SCHEMBL3069399 0.70 AKR1C1 (0.61) HPGDALDH1A1POLBAKR1C3SMN1; SMN2
SCHEMBL6918621 0.69 TPMT (0.94) TPMTHCAR1RXRARXRBHPGD
SCHEMBL6918090 0.69 TPMT (0.94) TPMTHCAR1RXRARXRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 EP disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 WO disclosed