SCHEMBL7743875

SCHEMBL7743875

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTP4A1 Q93096 1/20 0.36
MIF P14174 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7547845 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7549245 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL28040004 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7549249 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7547838 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL31126660 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7548113 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7745769 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7547841 0.85 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7544282 0.84 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ATSHR

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