SCHEMBL4980425

SCHEMBL4980425

c1ccc(OCCC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.56
TEAD3 Q99594 1/20 0.56
KCNA3 P22001 1/20 0.56
NFE2L2 Q16236 1/20 0.55
TAAR1 Q96RJ0 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL8081852 0.91 LTA4H (0.50) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL5722056 0.91 TEAD1 (0.50) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL5722059 0.91 TEAD1 (0.54) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL8284721 0.91 TAAR1 (0.52) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL5722054 0.91 TEAD1 (0.54) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL9349642 0.91 TEAD1 (0.50) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL8286318 0.91 TAAR1 (0.57) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL8529857 0.91 LTA4H (0.50) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL9349635 0.91 TEAD1 (0.50) TEAD1TEAD3KCNA3NFE2L2TAAR1
SCHEMBL13103169 0.90 NFE2L2 (0.69) TEAD1TEAD3KCNA3NFE2L2TAAR1

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
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed