SCHEMBL8580707

SCHEMBL8580707

CC1(C)CCC(C)(C)c2cc(C#COC(=O)c3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.61
RARG P13631 10/20 0.61
RARA P10276 6/20 0.61
CYP3A4 P08684 5/20 0.61
CYP26A1 O43174 5/20 0.61
CRABP2 P29373 1/20 0.61
RXRA P19793 10/20 0.46
RXRB P28702 8/20 0.46
RXRG P48443 6/20 0.46
CYP26B1 Q9NR63 2/20 0.44

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
SCHEMBL8686334 0.84 RARB (0.57) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9086322 0.83 RARB (0.43) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9765059 0.83 RARB (0.57) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8681625 0.82 RARB (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8683608 0.81 RXRA (0.50) RARBRARGRARACYP3A4CYP26A1
SCHEMBL20587536 0.78 RARB (0.77) RARBRARGRARACYP3A4CYP26A1
SCHEMBL31046815 0.78 RARB (0.77) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8681659 0.78 RXRA (0.52) RARBRARGRARACYP3A4CYP26A1
SCHEMBL3302926 0.76 RARB (1.00) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7882967 0.76 RARB (0.68) RARBRARGRARACYP3A4CYP26A1

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