SCHEMBL7946641

SCHEMBL7946641

CCCCCCCCOC(=O)c1ccc(Cl)cc1.O=C(O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARA Q07869 1/20 0.53
GPR35 Q9HC97 1/20 0.53
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
STS P08842 5/20 0.48

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
SCHEMBL7948963 0.90 LMNA (0.60) ALDH1A1TSHRLMNANPC1MAPT
SCHEMBL7937585 0.89 ALDH1A1 (0.70) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7945280 0.87 TSHR (0.54) ALDH1A1TSHRLMNATP53CYP3A4
Phthalic Acid SCHEMBL28042168 0.87 TSHR (0.71) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5710046 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27695864 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28506813 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7517603 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27677218 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6244199 0.85 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1

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
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed