SCHEMBL5836859

SCHEMBL5836859

COCC1C(C)=Cc2c1ccc1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.35
CYP2A6 P11509 3/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
SLC6A4 P31645 2/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7038278 0.84 KDM4E (0.41) KDM4EALDH1A1CYP2A6MAPTCYP1A2
SCHEMBL7037711 0.84 KDM4E (0.41) KDM4EALDH1A1CYP2A6MAPTCYP1A2
SCHEMBL3965890 0.74 ALDH1A1 (0.42) KDM4EALDH1A1CYP2A6MAPTCYP1A2
SCHEMBL8469174 0.72 KDM4E (0.36) KDM4EALDH1A1CYP2A6CYP1A2CYP2C19
SCHEMBL9249191 0.72 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6MAPTCYP1A2
SCHEMBL8673527 0.72 CYP2A6 (0.42) KDM4EALDH1A1CYP2A6MAPTCYP1A2
Hydrochloric Acid SCHEMBL7734464 0.71 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6MAPTCYP1A2
Hydrochloric Acid SCHEMBL6064180 0.71 CYP2A6 (0.41) KDM4EALDH1A1CYP2A6MAPTCYP1A2
Hydrochloric Acid SCHEMBL4063684 0.71 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6MAPTCYP1A2
Hydrochloric Acid SCHEMBL3092658 0.71 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6MAPTCYP1A2

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-7049377-B1 1,3-diethers and components and catalysts for the polymerization of olefins, containing said diethers BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2006-05-23 US disclosed
EP-0728770-B1 Process for the preparation of solid catalyst components for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-07-14 EP disclosed