SCHEMBL8200249

SCHEMBL8200249

CCCCCCC1CCc2cc(C(=O)O)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
CYP26A1 O43174 5/20 0.44
SGPL1 O95470 1/20 0.44
S1PR1 P21453 1/20 0.44
RARB P10826 2/20 0.42
SRD5A1 P18405 3/20 0.42
SRD5A2 P31213 3/20 0.42
CYP24A1 Q07973 2/20 0.41
CYP27A1 Q02318 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CYP19A1 P11511 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8192695 0.87 THRA (0.49) THRATHRBCYP26A1SGPL1S1PR1
SCHEMBL18052663 0.82 THRA (0.53) THRATHRBCYP26A1SGPL1S1PR1
SCHEMBL8205603 0.81 SMN1; SMN2 (0.48)
SCHEMBL15954358 0.81 THRA (0.52) THRATHRBCYP26A1SGPL1S1PR1
SCHEMBL15954361 0.81 THRA (0.52) THRATHRBCYP26A1SGPL1S1PR1
SCHEMBL8192821 0.81 THRA (0.42) THRATHRBSGPL1S1PR1ITGB3
SCHEMBL8809427 0.80 TP53 (0.43) THRATHRBRARBTP53TSHR
SCHEMBL8591151 0.78 CYP24A1 (0.42) THRATHRBCYP26A1SGPL1S1PR1
SCHEMBL27919093 0.78 CYP19A1 (0.56) THRATHRBCYP19A1TP53
SCHEMBL8199839 0.77 MLYCD (0.45) THRATHRBSGPL1S1PR1

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-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed