SCHEMBL7743058

SCHEMBL7743058

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.42
CYP2C9 P11712 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.40
DNM1 Q05193 2/20 0.40
HPGD P15428 1/20 0.40
EP300 Q09472 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
NAAA Q02083 1/20 0.37
FAAH O00519 3/20 0.36

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
SCHEMBL7743061 1.00 TP53 (0.44) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL7745806 0.98 TSHR (0.44) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL7743274 0.98 TSHR (0.44) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL7743277 0.98 TSHR (0.44) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL7745807 0.98 TSHR (0.44) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL20472626 0.95 TSHR (0.47) TP53CYP2C9TSHRDNM1EP300
SCHEMBL13703525 0.95 TSHR (0.47) TP53CYP2C9TSHRDNM1EP300
SCHEMBL20472622 0.95 TSHR (0.47) TP53CYP2C9TSHRDNM1EP300
SCHEMBL7745797 0.95 TP53 (0.45) TP53ATMCYP2C9TSHRALDH1A1
SCHEMBL7745794 0.95 TP53 (0.45) TP53ATMCYP2C9TSHRALDH1A1

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