SCHEMBL9702424

SCHEMBL9702424

CCCCCCCCCCCCCCCCCCCCC(C)[C](C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
ACE2 Q9BYF1 1/20 0.48
FDPS P14324 4/20 0.48
SPHK1 Q9NYA1 1/20 0.48
LMNA P02545 1/20 0.48
OPRM1 P35372 1/20 0.46
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GPR84 Q9NQS5 3/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 1/20 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
SCHEMBL1358107 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL37117 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL7795348 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL502907 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL1176710 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL1279390 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL2301401 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL20520253 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL20520255 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA
SCHEMBL20520239 1.00 CA1 (0.54) CA1ACE2FDPSSPHK1LMNA

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-0520160-A1 Process for antimicrobial treatment of polyurethane BOC HEALTH CARE, Inc. (US) 1992-12-30 EP disclosed