SCHEMBL7413573

SCHEMBL7413573

C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CC=C2CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.57
RXRG P48443 8/20 0.57
RXRB P28702 7/20 0.57
RARB P10826 5/20 0.57
RARG P13631 4/20 0.57
RARA P10276 2/20 0.57
MEN1 O00255 1/20 0.57
CYP26A1 O43174 1/20 0.57
ABCB11 O95342 1/20 0.57
ESR1 P03372 1/20 0.57
PGR P06401 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57

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
SCHEMBL8028114 0.82 RXRA (0.54) RXRARXRGRXRBRARBRARG
SCHEMBL8026158 0.82 RXRA (0.54) RXRARXRGRXRBRARBRARG
SCHEMBL8025901 0.81 RXRA (0.52) RXRARXRGRXRBRARBRARG
SCHEMBL6752834 0.80 RXRA (0.59) RXRARXRGRXRBRARBRARG
SCHEMBL8015896 0.80 RXRA (0.59) RXRARXRGRXRBRARBRARG
SCHEMBL8026774 0.78 RXRA (0.54) RXRARXRGRXRBRARBRARG
SCHEMBL8026590 0.77 RXRA (0.53) RXRARXRGRXRBRARBRARG
SCHEMBL8031537 0.77 RXRA (0.50) RXRARXRGRXRBRARBRARG
SCHEMBL8030273 0.76 RXRA (0.51) RXRARXRGRXRBRARBRARG
SCHEMBL8026146 0.74 RXRA (0.49) RXRARXRGRXRBRARBRARG

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-1173061-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2002-01-23 EP claimed
WO-2000064260-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-02 WO claimed
WO-2002022113-A2 RETINOIC ACID RECEPTOR ANTAGONISTS AS PROMOTERS OF ANGIOGENESIS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-21 WO disclosed
EP-1173061-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2002-01-23 EP disclosed
WO-2001078700-A2 COMPOSITIONS FOR USE IN MODULATING IMMUNE SYSTEM FUNCTION COMPRISING AT LEAST ONE RETRINOID AND AT LEAST ONE CYTOKINE GEISSMANN FREDERIC (FR) 2001-10-25 WO disclosed
WO-2000064260-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-02 WO disclosed