SCHEMBL8417707

SCHEMBL8417707

CCc1ccc(C2(C(C)O)CC2)cc1CC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A3 Q01959 7/20 0.34
SLC6A2 P23975 5/20 0.34
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL8417706 0.69 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL20876291 0.67 CYP2D6 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL22130964 0.67 CFTR (0.41)
SCHEMBL25094761 0.67 HDAC4 (0.41) ALOX15ALOX12SLC6A4SLC6A3SLC6A2
SCHEMBL1426726 0.66 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2
SCHEMBL8520386 0.66 RXRA (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL20558236 0.64 CYP19A1 (0.33) SLC6A4SLC6A3
SCHEMBL25094707 0.64 HDAC4 (0.39)
SCHEMBL25093296 0.64 HDAC4 (0.39)
SCHEMBL25094706 0.64 HDAC4 (0.39)

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-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 US disclosed