SCHEMBL2581988

SCHEMBL2581988

CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
MAPT P10636 9/20 0.67
KDM4E B2RXH2 3/20 0.67
TP53 P04637 1/20 0.64
PDCD1 Q15116 1/20 0.61
CD274 Q9NZQ7 1/20 0.61
PKM P14618 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.60
MAPK1 P28482 1/20 0.60
CASP3 P42574 1/20 0.60
RAB9A P51151 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
DHODH Q02127 1/20 0.60

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
SCHEMBL2581990 1.00 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL988238 0.91 MAPT (0.71) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL278655 0.91 MAPT (0.71) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL988236 0.91 MAPT (0.71) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL4317761 0.90 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPDCD1CD274
SCHEMBL2139678 0.90 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPDCD1CD274
SCHEMBL2139676 0.90 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPDCD1CD274
SCHEMBL15392279 0.88 MAPT (0.71) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL16131599 0.86 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETP53PDCD1
SCHEMBL15371833 0.86 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETP53PDCD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483194-A1 METHOD FOR PREPARING POLYURETHANE RESIN AND POLYURETHANE RESIN PREPARED THEREBY Covestro Deutschland AG (DE) 2019-05-15 EP disclosed
EP-2585033-A2 COSMETIC AND TOPICAL SKIN PREPARATION COMPRISING HIGHER ALCOHOL-MODIFIED SILICONE Dow Corning Toray Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011136389-A2 COSMETIC AND TOPICAL SKIN PREPARATION COMPRISING HIGHER ALCOHOL-MODIFIED SILICONE DOW CORNING TORAY CO., LTD. (JP) 2011-11-03 WO disclosed