SCHEMBL8412410

SCHEMBL8412410

C=CCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
MAPT P10636 9/20 0.62
KDM4E B2RXH2 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTP4A1 Q93096 2/20 0.53
PTP4A3 O75365 1/20 0.53

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
SCHEMBL8412412 1.00 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL21457759 0.88 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL21457762 0.88 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL11138248 0.86 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL11138247 0.86 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL2139676 0.85 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL2139678 0.85 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL4317761 0.85 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL8097340 0.85 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EL3MBTL1PDCD1
SCHEMBL10703771 0.85 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EL3MBTL1PDCD1

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
US-5961962-A SUNSCREENS SOCIETE L'OREAL S.A. (FR) 1999-10-05 US disclosed
US-5827509-A Photoprotective/cosmetic compositions comprising cinnamonitrile-substituted polyorganosiloxanes/polyorganosilanes SOCIETE L'OREAL S.A. (FR) 1998-10-27 US disclosed