SCHEMBL4649265

SCHEMBL4649265

CC(=O)N1CCCCC1c1cc(CCC2CCCCC2)cc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.37
▸ PPM1D O15297 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ CHRM2 P08172 5/20 0.34
▸ CHRM4 P08173 5/20 0.34
▸ CHRM5 P08912 5/20 0.34
▸ CHRM1 P11229 5/20 0.34
▸ CHRM3 P20309 5/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ EPHX2 P34913 2/20 0.33

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
SCHEMBL28138572 0.78 DAO (0.48) DAOPPM1DKDM4CEPHX2
SCHEMBL27975645 0.76 DAO (0.45) DAOPPM1DKDM4C
SCHEMBL3557808 0.74 ALDH1A1 (0.36) RIPK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28133767 0.70 GPR84 (0.38) DAOPPM1D
SCHEMBL27712207 0.70 MCL1 (0.41) DAOPPM1DKDM4CSPHK1
SCHEMBL9336982 0.68 RIPK1 (0.63) RIPK1EPHX2
SCHEMBL28139210 0.66 CYP2C19 (0.43) ALDH1A1
SCHEMBL16880582 0.66 CYP11B2 (0.42) RIPK1CYP11B2
SCHEMBL14569581 0.65 ROCK2 (0.44) RIPK1CYP11B2
SCHEMBL14569489 0.65 EPHX2 (0.47) RIPK1EPHX2

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-1963312-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-03 — — EP disclosed
WO-2007061930-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 — — WO disclosed
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