SCHEMBL8197282

SCHEMBL8197282

[C]#Cc1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.50
RARB P10826 9/20 0.50
RARG P13631 9/20 0.50
CYP3A4 P08684 3/20 0.50
CYP26A1 O43174 2/20 0.50
KMT2A Q03164 1/20 0.46
RXRA P19793 2/20 0.43
CRABP2 P29373 1/20 0.33
SSTR5 P35346 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
SCHEMBL19034088 0.87 RARB (0.62) RARARARBRARGCYP3A4CYP26A1
SCHEMBL4309215 0.84 RARA (0.50) RARARARBRARGCYP3A4CYP26A1
SCHEMBL16913398 0.84 RARB (0.56) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7217365 0.84 RARA (0.50) RARARARBRARGCYP3A4CYP26A1
SCHEMBL4373673 0.79 RARB (0.58) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8293245 0.76 RARA (0.47) RARARARBRARGCYP3A4CYP26A1
SCHEMBL9817648 0.75 CYP3A4 (0.76) RARARARBRARGCYP3A4CYP26A1
SCHEMBL9188112 0.75 RARA (0.49) RARARARBRARGCYP3A4CYP26A1
SCHEMBL13708653 0.75 RARA (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL9054284 0.75 RARA (0.46) RARARARBRARGCYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003569-A2 STERILE BIOERODIBLE IMPLANT DEVICE WITH IMPROVED BIOCOMPATABILITY AND METHOD Allergan Sales, Inc. (US) 2000-05-31 EP disclosed
WO-1999007418-A2 STERILE BIOERODIBLE IMPLANT DEVICE WITH IMPROVED BIOCOMPATABILITY AND METHOD ALLERGAN SALES, INC. (US) 1999-02-18 WO disclosed