SCHEMBL9466801

SCHEMBL9466801

COC(C)Cc1cccc(C(C)(C)C)c1CC(C)OC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9466819 0.84 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL9466329 0.80 TSHR (0.33) CA2GABRA1GABRB2ALDH1A1
SCHEMBL9816542 0.77 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL1837175 0.76 GABRA1 (0.41) CA2GABRA1GABRB2ALDH1A1
SCHEMBL9466697 0.76 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1
SCHEMBL9466818 0.75 ADRA2A (0.34) GABRA1GABRB2
SCHEMBL6900865 0.73 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL1338597 0.72 CD274 (0.41)
SCHEMBL1315822 0.69 ALDH1A1 (0.35) CA2ALDH1A1
SCHEMBL9729259 0.67 SMN1; SMN2 (0.35) ALDH1A1

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