SCHEMBL7828888

SCHEMBL7828888

Cc1ccc(C(=O)O)c2c1C(C)(C)CCS2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.35
RARA P10276 7/20 0.35
RARB P10826 7/20 0.35
RARG P13631 7/20 0.35
RXRB P28702 6/20 0.35
RXRG P48443 6/20 0.35
HNF4A P41235 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
CYP26A1 O43174 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL6726207 0.81 RXRA (0.35) RXRARARARARBRARGRXRB
SCHEMBL6723735 0.80
SCHEMBL9036741 0.78 RARA (0.34) RXRARARARARBRARGRXRB
SCHEMBL7839850 0.76 RARA (0.41) RXRARARARARBRARGRXRB
SCHEMBL6971021 0.76 RXRA (0.39) RXRARARARARBRARGRXRB
SCHEMBL6721524 0.72 RXRA (0.35) RXRARARARARBRARGRXRB
SCHEMBL7468595 0.72 RARA (0.42) RXRARARARARBRARGRXRB
SCHEMBL7617142 0.72 RXRA (0.39) RXRARARARARBRARGRXRB
SCHEMBL9037686 0.71 RXRA (0.35) RXRARARARARBRARGALDH1A1
SCHEMBL6725577 0.70 RARA (0.32) RXRARARARARBRARG

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-0712853-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 2001-02-28 EP disclosed
EP-0712853-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-05-22 EP disclosed