SCHEMBL7688951

SCHEMBL7688951

c1ccc(OCCC2CC[N]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.50
TEAD3 Q99594 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
NFE2L2 Q16236 1/20 0.47
KCNA3 P22001 1/20 0.47
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL7979595 0.90 TAAR1 (0.45) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL4980425 0.87 TEAD1 (0.56) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL2301274 0.81 CARM1 (0.49)
SCHEMBL13103169 0.81 NFE2L2 (0.69) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL5519659 0.81 TEAD1 (0.52) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL8286318 0.79 TAAR1 (0.57) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL9349642 0.79 TEAD1 (0.50) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL9349635 0.79 TEAD1 (0.50) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL5722059 0.79 TEAD1 (0.54) TEAD1TEAD3TAAR1NFE2L2KCNA3
SCHEMBL8284721 0.79 TAAR1 (0.52) TEAD1TEAD3TAAR1NFE2L2KCNA3

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-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 US disclosed