SCHEMBL8026052

SCHEMBL8026052

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.41
RARA P10276 11/20 0.41
RARG P13631 11/20 0.41
RXRA P19793 4/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP26A1 O43174 2/20 0.36
PDK2 Q15119 1/20 0.36
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
NR2E1 Q9Y466 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
SCHEMBL8031336 0.88 CYP3A4 (0.40) RARBRARARARGRXRARXRB
SCHEMBL8032216 0.87 RARB (0.55) RARBRARARARGRXRARXRB
SCHEMBL8026629 0.85 RARB (0.43) RARBRARARARGRXRARXRB
SCHEMBL6810972 0.84 RARA (0.39) RARBRARARARGRXRARXRB
SCHEMBL8026053 0.83 RARA (0.53) RARBRARARARGRXRACYP3A4
SCHEMBL7800429 0.81 RARA (0.43) RARBRARARARGRXRARXRB
SCHEMBL8026107 0.80 RARB (0.60) RARBRARARARGRXRANR2E1
SCHEMBL7807061 0.78 RARA (0.60) RARBRARARARGRXRANR2E1
SCHEMBL7800412 0.78 RARA (0.58) RARBRARARARGRXRANR2E1
SCHEMBL7807096 0.78 RARB (0.45) RARBRARARARGRXRAPDK2

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 disclosed