SCHEMBL4602800

SCHEMBL4602800

COCCOCOc1cncc(CCCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.38
CHRNA4 P43681 4/20 0.38
GGPS1 O95749 2/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CHRNA6 Q15825 2/20 0.36
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKCG P05129 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL4601736 0.81 GGPS1 (0.40) CHRNB2CHRNA4GGPS1CTNNB1
SCHEMBL13779692 0.73 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1LMNACYP3A4
SCHEMBL30472090 0.72 GGPS1 (0.45) CHRNB2CHRNA4GGPS1
SCHEMBL25627325 0.72 GGPS1 (0.45) CHRNB2CHRNA4GGPS1
SCHEMBL23266068 0.72 MEN1 (0.67) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4602336 0.71 AR (0.44)
SCHEMBL13779691 0.71 CYP11B1 (0.40) CHRNB2CHRNA4GGPS1CYP3A4CTNNB1
SCHEMBL3335173 0.69 LMNA (0.48) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL13354073 0.69 CHRNB2 (0.79) CHRNB2CHRNA4DAPK3ROCK2PRKCG
SCHEMBL25626383 0.68 CHRNB2 (0.49) CHRNB2CHRNA4GGPS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed