SCHEMBL4147525

SCHEMBL4147525

O=C(O)/C=C\C(=O)NCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4147527 1.00 ALDH1A1 (0.44) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL12163944 0.78 CNR2 (0.41) LMNATP53
SCHEMBL11137382 0.78 LMNA (0.49) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL11792285 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL11137387 0.78 LMNA (0.49) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL30130687 0.75 SMN1; SMN2 (0.35) ALDH1A1LMNATP53KMT2AL3MBTL1
SCHEMBL10578482 0.74 ALDH1A1 (0.59) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL15087214 0.74 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL13381419 0.74 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL10578491 0.74 ALDH1A1 (0.59) ALDH1A1LMNACYP2D6CYP2C19TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247680-A1 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-10-01 US disclosed
EP-2024440-A2 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-02-18 EP disclosed
WO-2007146603-A2 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2007-12-21 WO disclosed
EP-0140530-B1 LATENTLY-CURABLE ORGANOSILICONE RELEASE COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-08 EP disclosed
US-4533575-A ETHYLENICALLY UNSATURATED POLYSILOXANE AND POLYHYDROSILOXANE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-08-06 US disclosed
EP-0140530-A1 Latently-curable organosilicone release coating composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-08 EP disclosed
US-4504645-A GELATION INHIBITION USING A MONOESTER OR -AMIDE OF AN UNSATURATED DICARBOXYLIC ACID; SHELF LIFE; HEAT CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-12 US disclosed