SCHEMBL7745807

SCHEMBL7745807

CCCCCCC=C(C#N)C(=O)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
EP300 Q09472 1/20 0.42
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 2/20 0.39
FAAH O00519 3/20 0.39
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL7743277 1.00 TSHR (0.44) TSHRTP53EP300CYP2C9MEN1
SCHEMBL7743274 1.00 TSHR (0.44) TSHRTP53EP300CYP2C9MEN1
SCHEMBL7745806 1.00 TSHR (0.44) TSHRTP53EP300CYP2C9MEN1
SCHEMBL7743058 0.98 TP53 (0.44) TSHRTP53EP300CYP2C9MEN1
SCHEMBL7743061 0.98 TP53 (0.44) TSHRTP53EP300CYP2C9MEN1
SCHEMBL13703525 0.97 TSHR (0.47) TSHRTP53EP300CYP2C9MEN1
SCHEMBL20472626 0.97 TSHR (0.47) TSHRTP53EP300CYP2C9MEN1
SCHEMBL20472622 0.97 TSHR (0.47) TSHRTP53EP300CYP2C9MEN1
SCHEMBL7745794 0.94 TP53 (0.45) TSHRTP53CYP2C9MEN1LMNA
SCHEMBL7745797 0.94 TP53 (0.45) TSHRTP53CYP2C9MEN1LMNA

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