SCHEMBL14818151

SCHEMBL14818151

COc1ccc(CNC(=O)NCC(C)(C)COc2cccc(N[SH](=O)=O)c2C(C)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASR P41180 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ANPEP P15144 1/20 0.37
THRB P10828 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
KCNA5 P22460 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
SCHEMBL619618 0.74 NPC1 (0.41) ALDH1A1KDM4EMEN1KMT2ACASR
SCHEMBL622163 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ACASR
SCHEMBL621872 0.71 NPC1 (0.55) ALDH1A1KDM4EMEN1KMT2ACASR
SCHEMBL24576223 0.66 NPC1 (0.71) ALDH1A1KDM4EMEN1KMT2ACASR
SCHEMBL16562080 0.63 NPC1 (0.77) ALDH1A1KDM4EMEN1KMT2ACASR
SCHEMBL23747385 0.63 SMN1; SMN2 (0.70) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL23728254 0.62 SMN1; SMN2 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL26100519 0.62 SMN1; SMN2 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1567200 0.62 HDAC1 (0.59) KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL20402350 0.61 ANPEP (0.67) ALDH1A1KDM4EMEN1KMT2ACASR

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-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed