SCHEMBL27574232

SCHEMBL27574232

CCCCC(Cc1ccccc1)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
CSNK1E P49674 1/20 0.42
CTSK P43235 6/20 0.40
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CTSH P09668 2/20 0.40
SIGMAR1 Q99720 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL28173909 0.87 MME (0.41) CNR2CTSKCTSLCTSBMME
SCHEMBL15479086 0.86 CYP1A2 (0.42) SIGMAR1CPA1
SCHEMBL23123157 0.84 SIGMAR1 (0.43) SIGMAR1
SCHEMBL28103077 0.78 CYP1A2 (0.36) SIGMAR1MMECPA1
SCHEMBL27888074 0.78 CA2 (0.35) SMN1; SMN2
SCHEMBL27400575 0.77 TRPA1 (0.44) CPA1
SCHEMBL6441532 0.77 CSNK1E (0.53) CNR2CSNK1E
SCHEMBL6443017 0.77 CSNK1E (0.53) CNR2CSNK1E
SCHEMBL693020 0.76 CYP1A2 (0.37) SIGMAR1MMECPA1
SCHEMBL7300322 0.76 CNR2 (0.44) CNR2CSNK1ECTSKCTSLCTSB

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
CN-1328550-A Oxazole compounds as prostaglandin E2 agonists or antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-26 CN disclosed