SCHEMBL11754891

SCHEMBL11754891

CCCOP(=O)(O)OCCC.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 5/20 0.44
▸ LPAR1 Q92633 3/20 0.44
▸ LPAR2 Q9HBW0 3/20 0.44
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BTN3A1 O00481 1/20 0.39
▸ LPAR5 Q9H1C0 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL497177 0.97 LPAR3 (0.46) LPAR3LPAR1LPAR2CYP3A4MEN1
SCHEMBL7005822 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
SCHEMBL28780969 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
Ammonia Solution, Strong SCHEMBL28426122 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
SCHEMBL7263489 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
Bromide SCHEMBL11421248 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
Hydrochloric Acid SCHEMBL11037593 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
Ammonia Solution, Strong SCHEMBL128358 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
SCHEMBL19712779 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1
SCHEMBL28780965 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2CYP3A4MEN1

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
US-4060513-A BENZOPHENONE U.V. STABILIZERSPOLYOLEFIN CINCINNATI MILACRON, INC. (US) 1977-11-29 — — US disclosed
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