SCHEMBL28429448

SCHEMBL28429448

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1OC(=O)C(CC(=O)O)c1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.44
GPR55 Q9Y2T6 1/20 0.32
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32

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
SCHEMBL4807774 0.74 GLRA3 (0.38) GPR55GLRA3GLRB
SCHEMBL10413968 0.71 GLRA3 (0.38) GLRA3GLRB
SCHEMBL6308031 0.70 CYP3A4 (0.44) VCAM1GLRA3GLRB
SCHEMBL28344674 0.69 VCAM1 (0.50) VCAM1
SCHEMBL410919 0.67 GLRA3 (0.42) GLRA3GLRB
SCHEMBL8397770 0.66 VCAM1 (0.41) VCAM1
SCHEMBL28182200 0.65 GLRA3 (0.41) GLRA3GLRB
SCHEMBL28845858 0.65 VCAM1 (0.41) VCAM1GLRA3GLRB
SCHEMBL10864666 0.65 VCAM1 (0.39) VCAM1GLRA3GLRB
SCHEMBL11778178 0.64 ALDH1A1 (0.45) VCAM1GPR55GLRA3GLRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111286109-A Preparation method of anti-yellowing high-density polyethylene 上海赛科石油化工有限责任公司 2020-06-16 CN disclosed