SCHEMBL9465670

SCHEMBL9465670

CC(C)(Cl)c1cccc(-c2ccccc2)c1C(C)(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
HSD11B1 P28845 1/20 0.33
PTGS2 P35354 1/20 0.32
HNF4A P41235 1/20 0.32
DPP4 P27487 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN5 P54829 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL536698 0.79 CA2 (0.40) ALDH1A1CA2
SCHEMBL27480276 0.76 CA2 (0.41) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL6062306 0.76 CYP2A6 (0.46) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL1194487 0.76 CA2 (0.41) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL26004347 0.74 ALDH1A1 (0.42) CYP2A6PDCD1CD274ALDH1A1HSD17B10
Phosphine SCHEMBL2238719 0.74 CA2 (0.40) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL545685 0.74 CA2 (0.40) CYP2A6PDCD1CD274ALDH1A1HSD17B10
Iodide SCHEMBL29162131 0.74 CA2 (0.40) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL27587488 0.74 CA2 (0.40) CYP2A6PDCD1CD274ALDH1A1HSD17B10
SCHEMBL1337562 0.73 PDCD1 (0.39) CYP2A6PDCD1CD274ALDH1A1HSD17B10

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
US-5248746-A Cationic polymerization, molecular weight control NIPPON ZEON CO., LTD. (JP) 1993-09-28 US disclosed
EP-0451679-A2 Method of producing polymers NIPPON ZEON CO., LTD. (JP) 1991-10-16 EP disclosed
EP-0397081-A2 Process for preparation of polymer NIPPON ZEON CO., LTD. (JP) 1990-11-14 EP disclosed