SCHEMBL9715737

SCHEMBL9715737

CC1(C)C=CC=CC1C=CC=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL599619 0.89 LMNA (0.38) MAOBALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL28221256 0.71 KDM1A (0.43) MAOBMAPTLMNAPOLBCHAT
SCHEMBL9227469 0.71 KDM1A (0.43) MAOBMAPTLMNAPOLBCHAT
SCHEMBL27745443 0.69 KDM1A (0.41) MAOBALDH1A1MAPTMAPK1LMNA
SCHEMBL5112549 0.69 KDM1A (0.41) MAOBALDH1A1MAPTMAPK1LMNA
SCHEMBL9806358 0.68 ALDH1A1 (0.33) MAOBALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL31193035 0.67 MAPT (0.39) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL31193007 0.67 MAPT (0.39) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL27343992 0.66
SCHEMBL23458007 0.66 MAOB (1.00) MAOBALDH1A1MAPTCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed