SCHEMBL6754232

SCHEMBL6754232

CCOC(=O)C(C=CC#N)C=C(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
CYP2C9 P11712 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL4137626 0.86 ATM (0.39) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL1806183 0.76 ALDH1A1 (0.40) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL16532654 0.75 ALDH1A1 (0.37) HCAR2CYP2C9ALDH1A1TSHRLMNA
SCHEMBL8937961 0.70 GLO1 (0.39) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL8937965 0.70 GLO1 (0.39) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL435981 0.68
Acetic Acid SCHEMBL8429276 0.66 HCAR2 (0.55) HCAR2CYP2C9ALDH1A1TSHRLMNA
SCHEMBL11369612 0.66 ALDH1A1 (0.35) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL12275357 0.65 ALDH1A1 (0.34) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL12275358 0.65 ALDH1A1 (0.34) HCAR2CYP2C9CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6709764-B1 HAVING CAPACITY TO ABSORB THERMOSETTING RESIN UNIFORMLY AT REDUCED LEVEL; SIZING AGENT FREE Wiggins, Arjo (FR) 2004-03-23 US claimed
US-6709764-B1 HAVING CAPACITY TO ABSORB THERMOSETTING RESIN UNIFORMLY AT REDUCED LEVEL; SIZING AGENT FREE Wiggins, Arjo (FR) 2004-03-23 US disclosed