SCHEMBL7743874

SCHEMBL7743874

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.48
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 4/20 0.46
HPGD P15428 1/20 0.46
DNM1 Q05193 3/20 0.44
HCAR2 Q8TDS4 2/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NAAA Q02083 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
SCHEMBL7547816 1.00 TP53 (0.49) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL8000911 0.93 TSHR (0.53) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL14156080 0.89 ALDH1A1 (0.48) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL14345883 0.89 ALDH1A1 (0.48) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL23941236 0.88 CYP2C9 (0.50) TP53CYP2C9ALDH1A1TSHRDNM1
SCHEMBL28852642 0.88 CYP2C9 (0.50) TP53CYP2C9ALDH1A1TSHRDNM1
SCHEMBL7737783 0.87 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7737784 0.87 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7545543 0.87 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7545535 0.87 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR

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