SCHEMBL4969319

SCHEMBL4969319

CC1CCCC(c2cc(C(=O)O)c[nH]c2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
RARG P13631 2/20 0.34
RARB P10826 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL4969223 0.84 NOTUM (0.43) NOTUMRAB9ASMN1; SMN2KMOHCAR2
SCHEMBL4966863 0.83 RAB9A (0.45) NOTUMRAB9ASMN1; SMN2KMOKDM4A
SCHEMBL4965859 0.82 KMO (0.43) RARGRARBKMOMEN1ALDH1A1
SCHEMBL6209027 0.81 NOTUM (0.46) NOTUMRARGRARBRAB9ASMN1; SMN2
SCHEMBL4967987 0.76 AKR1C3 (0.44) NOTUMRARGRARBKMOMEN1
SCHEMBL31702895 0.67 CDC7 (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL28794370 0.66 HRH4 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL28016809 0.65 KDM4E (0.44) NOTUMKMOMEN1ALDH1A1KMT2A
SCHEMBL31702908 0.64 NNMT (0.36) NOTUMALDH1A1
SCHEMBL480033 0.64 NOTUM (0.63) NOTUMSMN1; SMN2MEN1ALDH1A1KMT2A

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-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed