SCHEMBL8333207

SCHEMBL8333207

C#Cc1c(-c2ccc3c(c2)C(c2ccc(CC)cc2)=CC(C)(C)S3)ccc(C(=O)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.38
RARA P10276 4/20 0.38
RARG P13631 4/20 0.38
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MPL P40238 3/20 0.32

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
SCHEMBL8330182 0.91 RARA (0.47) RARBRARARARGSMN1; SMN2
SCHEMBL8327517 0.78 RARA (0.40) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL1140826 0.77 RARB (0.60) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL8331248 0.75 RARB (0.38) RARBRARARARG
SCHEMBL14384928 0.73 RARB (0.53) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL726359 0.73 RARA (0.60) RARBRARARARG
SCHEMBL6592216 0.72 RARA (0.40) RARBRARARARGSMN1; SMN2
SCHEMBL8329653 0.72 RARA (0.37) RARBRARARARGRAB9A
SCHEMBL8328688 0.70 RARA (0.52) RARBRARARARG
SCHEMBL8329461 0.70 RARA (0.49) RARBRARARARGRAB9A

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-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed