SCHEMBL8032015

SCHEMBL8032015

C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(NC1CC1)CCC2(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.70
RARB P10826 12/20 0.70
RARG P13631 10/20 0.70
RARA P10276 7/20 0.70
RXRB P28702 7/20 0.70
RXRG P48443 5/20 0.70
CYP26A1 O43174 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP26B1 Q9NR63 2/20 0.51
PGR P06401 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TBXA2R P21731 2/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL6818089 0.84 RXRA (1.00) RXRARARBRARGRARARXRB
SCHEMBL8032019 0.83 RARB (0.71) RXRARARBRARGRARARXRB
SCHEMBL8026151 0.76 RXRA (0.78) RXRARARBRARGRARARXRB
SCHEMBL9747842 0.75 RARB (1.00) RXRARARBRARGRARARXRB
SCHEMBL7756675 0.75 RARB (0.81) RXRARARBRARGRARARXRB
SCHEMBL10355871 0.72 RXRA (1.00) RXRARARBRARGRARARXRB
SCHEMBL7756615 0.72 RXRA (0.77) RXRARARBRARGRARARXRB
SCHEMBL7421758 0.72 RXRA (0.72) RXRARARBRARGRARARXRB
SCHEMBL29827631 0.72 RARB (0.81) RXRARARBRARGRARARXRB
SCHEMBL846110 0.72 RARB (0.81) RXRARARBRARGRARARXRB

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
WO-2000059861-A1 SELECTIVE RETINOIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-12 WO claimed