SCHEMBL9634579

SCHEMBL9634579

CC(C=O)(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
TRPA1 O75762 1/20 0.42
ALOX5 P09917 1/20 0.42
EGFR P00533 1/20 0.40
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 2/20 0.38
CYP2A6 P11509 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 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
SCHEMBL27460061 0.82 CYP2C19 (0.46) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL24188664 0.82 CYP2C19 (0.46) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL12319752 0.82 HDAC3 (0.39) CYP2C19ALDH1A1MAPK1TSHRHDAC1
SCHEMBL28102219 0.81 ALDH1A1 (0.44) CYP2C19ALDH1A1MAPK1CYP2A6TSHR
SCHEMBL1579975 0.78 ALDH1A1 (0.46) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL10332365 0.76 CYP2C19 (0.61) CYP2C19ALDH1A1LMNAEGFRGLA
SCHEMBL6546422 0.75 CYP2C19 (0.50) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL28706854 0.75 CYP2C19 (0.50) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL4789182 0.75 CYP2C19 (0.50) CYP2C19ALDH1A1MAPK1LMNATRPA1
SCHEMBL17009062 0.74 CYP2C19 (0.59) CYP2C19ALDH1A1MAPK1LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282066-B1 (PHENYLETHENYL) PHENYLPROPIONALDEHYDE AND METHOD FOR PRODUCING (BENZOYLPHENYL) PROPIONIC ACID USING THE SAME NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4889952-A (Phenylethenyl) phenylpropionaldehyde and method for producing (benzolyphenyl) propionic acid using the same NIPPON PETROCHEMICAL COMPANY, LTD. (JP) 1989-12-26 US disclosed
EP-0282066-A2 (Phenylethenyl) phenylpropionaldehyde and method for producing (benzoylphenyl) propionic acid using the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP disclosed