SCHEMBL8328656

SCHEMBL8328656

Cc1ccc(C2=CC(C)(C)c3ccc(C#COC(=O)c4ccccc4)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 19/20 0.48
RARA P10276 18/20 0.48
RARG P13631 18/20 0.48
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6240904 0.81 RARB (0.71) RARBRARARARG
SCHEMBL6234600 0.81 RARA (0.53) RARBRARARARG
SCHEMBL8328655 0.80 RARB (0.52) RARBRARARARGNPC1RAB9A
SCHEMBL6397552 0.74 RARB (0.51) RARBRARARARG
SCHEMBL8335174 0.72 RARB (0.42) RARBRARARARGNPC1RAB9A
SCHEMBL8329424 0.72 RARA (0.42) RARBRARARARG
SCHEMBL8580707 0.71 RARB (0.61) RARBRARARARG
SCHEMBL8771689 0.69 PDK2 (0.49) RARBRARARARGRAB9A
SCHEMBL17275573 0.69 RARB (0.50) RARBRARARARG
SCHEMBL8771880 0.67 RARA (0.55) RARBRARARARGNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed