SCHEMBL8016189

SCHEMBL8016189

CCOC(=O)c1ccc(C=Cc2cc3c(cc2C)C(C)(C)CC=C3OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.43
RARB P10826 3/20 0.43
RARG P13631 2/20 0.43
PPARG P37231 1/20 0.38
RXRA P19793 10/20 0.36
NR2E1 Q9Y466 1/20 0.36
PDK2 Q15119 2/20 0.35
RXRG P48443 2/20 0.33
RXRB P28702 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 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
SCHEMBL8331154 0.90 RXRA (0.47) RARARARBRARGPPARGRXRA
SCHEMBL8016184 0.85 RXRA (0.42) RARARARBRARGPPARGRXRA
SCHEMBL6756017 0.82 RARA (0.48) RARARARBRARGPPARGRXRA
SCHEMBL8025898 0.81 RARA (0.46) RARARARBRARGPPARGRXRA
SCHEMBL8331635 0.81 PDK2 (0.46) RARARARBRARGRXRAPDK2
SCHEMBL6240892 0.81 ACHE (0.43) RARARARBRARGPDK2HPGD
SCHEMBL6240887 0.81 ACHE (0.43) RARARARBRARGPDK2HPGD
SCHEMBL8331156 0.80 PDK2 (0.37) RARARARBRARGPPARGRXRA
SCHEMBL6810772 0.79 RARA (0.49) RARARARBRARGRXRANR2E1
SCHEMBL6752848 0.79 RARA (0.46) RARARARBRARGPPARGRXRA

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