SCHEMBL9466697

SCHEMBL9466697

CC(Cl)Cc1cccc(C(C)(C)C)c1CC(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL672659 0.82 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL9614586 0.77 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL9466801 0.76 CA2 (0.34) CA2GABRA1GABRB2ALDH1A1
SCHEMBL9466210 0.76 GABRA1 (0.40) GABRA1GABRB2ALDH1A1
SCHEMBL9816671 0.73 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL673323 0.71 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL9466329 0.70 TSHR (0.33) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9465676 0.70 CD274 (0.43)
SCHEMBL9466227 0.69
SCHEMBL28301638 0.69 GABRA1 (0.68) CA2GABRA1GABRB2TSHR

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