SCHEMBL11111304

SCHEMBL11111304

CC(O)(CN)CCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
KCNA3 P22001 1/20 0.47
PPARA Q07869 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 2/20 0.46
PLA2G2A P14555 1/20 0.46
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
FDPS P14324 3/20 0.42
PARP10 Q53GL7 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PKM P14618 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
SCHEMBL8095513 0.81 KCNA3 (0.54) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL1754085 0.77 KCNA3 (0.58) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL4332540 0.74 PPARA (0.56) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL4332538 0.74 PPARA (0.56) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL21414831 0.73 KCNA3 (0.54) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL9715083 0.73 KCNA3 (0.54) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL11052425 0.73 KCNA3 (0.54) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL82056 0.73 PPARA (0.73) ALDH1A1RECQLKCNA3PPARAMTNR1A
SCHEMBL22710207 0.72 KCNA3 (0.52) TAAR1ALDH1A1RECQLKCNA3PPARA
SCHEMBL10264550 0.72 KCNA3 (0.52) TAAR1ALDH1A1RECQLKCNA3PPARA

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-4456616-A 7-Oxabicycloheptane substituted amino prostaglandin analogs and their use in inhibiting platelet aggregation and bronchoconstriction E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed