SCHEMBL7745781

SCHEMBL7745781

CCCC/C=C(\C#N)C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 4/20 0.36
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL7547010 1.00 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7743752 0.95 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7542229 0.95 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7737753 0.94 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7544404 0.94 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21141866 0.94 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7743885 0.94 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7543402 0.94 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7737775 0.90 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7544282 0.90 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 EP claimed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 US claimed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 EP claimed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 WO claimed