SCHEMBL14637678

SCHEMBL14637678

CC(CC=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.64
▸ OPRK1 P41145 1/20 0.58
▸ TAAR1 Q96RJ0 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13675822 0.82 SIGMAR1 (0.61) SIGMAR1TAAR1MEN1KMT2AATM
SCHEMBL9063684 0.82 SIGMAR1 (0.61) SIGMAR1TAAR1MEN1KMT2AATM
SCHEMBL10696254 0.82 SIGMAR1 (0.61) SIGMAR1TAAR1MEN1KMT2AATM
SCHEMBL19498803 0.82 OPRK1 (0.81) SIGMAR1OPRK1MEN1KMT2AHTT
SCHEMBL27830403 0.78 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL18435350 0.78 SIGMAR1 (0.72) SIGMAR1OPRK1TAAR1ATMSMN1; SMN2
SCHEMBL19498788 0.78 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL9360922 0.78 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL8705659 0.77 GGT1 (0.50) SIGMAR1OPRK1TAAR1MEN1KMT2A
SCHEMBL4624995 0.77 SIGMAR1 (0.70) SIGMAR1OPRK1TAAR1MEN1KMT2A

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-2731979-A1 HARDENER FOR EPOXY RESINS Sika Technology AG (CH) 2014-05-21 — — EP disclosed
WO-2013010841-A1 HARDENER FOR EPOXY RESINS SIKA TECHNOLOGY AG (CH) 2013-01-24 — — WO disclosed
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