SCHEMBL26044947

SCHEMBL26044947

CCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.39
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
S1PR1 P21453 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
KDM1A O60341 2/20 0.37
HDAC1 Q13547 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL10980866 0.97 RARB (0.49) RARBBACE1ALOX5NPC1TP53
SCHEMBL15451320 0.95 RARB (0.48) RARBBACE1ALOX5RARARARG
SCHEMBL14175171 0.90 RARB (0.47) RARBBACE1RARARARGNPC1
SCHEMBL12333085 0.90 RARB (0.47) RARBBACE1RARARARGNPC1
SCHEMBL17614866 0.90 RARB (0.47) RARBBACE1RARARARGNPC1
SCHEMBL19820864 0.90 PDE3B (0.45) RARBBACE1PDE3BPDE3AS1PR1
SCHEMBL27437919 0.89 RARB (0.60) RARBRARARARGNPC1TP53
SCHEMBL20202985 0.89 RARB (0.46) RARBBACE1RARARARGNPC1
SCHEMBL20202983 0.89 RARB (0.46) RARBBACE1RARARARGNPC1
SCHEMBL16377220 0.88 RARB (0.50) RARBALOX5RARARARGNPC1

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
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed