SCHEMBL8580705

SCHEMBL8580705

CC1(C)CCC(C)(C)c2cc(C#Cc3ccccc3C(=O)O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.65
RARG P13631 13/20 0.65
RARA P10276 8/20 0.65
CYP26A1 O43174 1/20 0.65
CYP3A4 P08684 1/20 0.65
CRABP2 P29373 1/20 0.65
RXRA P19793 9/20 0.46
RXRB P28702 8/20 0.45
RXRG P48443 6/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8772690 0.83 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL27304274 0.83 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8686332 0.83 RARB (0.60) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342932 0.81 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8683606 0.81 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL22426598 0.80 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342916 0.80 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8681621 0.79 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8681657 0.79 RXRA (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.79 RARB (1.00) RARBRARGRARACYP26A1CYP3A4

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-5798372-A ADMINISTERING THE RETENOIDS PRIOR, DURING OR AFTER ANGIOPLASTY ALLERGAN (US) 1998-08-25 US disclosed