SCHEMBL23263121

SCHEMBL23263121

CC(C)(C)CCC(C)(C)CCCCCCCOC(C)(C)CCOC(C)(C)CCOP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMPD1 P17405 1/20 0.30
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
S1PR5 Q9H228 2/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL9437046 0.76 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1S1PR4
SCHEMBL19917830 0.76 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1S1PR4
SCHEMBL19917793 0.76 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1S1PR4
SCHEMBL13322581 0.75 LPAR3 (0.47) LPAR3LPAR2LPAR1FFAR1CPT2
SCHEMBL3046776 0.75 LPAR3 (0.46) LPAR3LPAR2LPAR1FFAR1CPT2
SCHEMBL10170031 0.75 LPAR3 (0.46) LPAR3LPAR2LPAR1SMPD1S1PR4
SCHEMBL8976975 0.73 LPAR3 (0.75) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL3049272 0.73 LPAR3 (0.48) LPAR3LPAR2LPAR1FFAR1CPT2
SCHEMBL3045016 0.73 LPAR3 (0.52) LPAR3LPAR2LPAR1FFAR1CPT2
SCHEMBL3041746 0.72 LPAR3 (0.47) LPAR3LPAR2LPAR1FFAR1CPT2

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-20210115351-A1 AMINE-FUNCTIONALIZED ORGANOSILANE/ORGANOPHOSPHATE COMBINATION SYSTEMS AS EP AGENTS / CORROSION INHIBITORS IN COMPOSITIONS FOR TREATING METAL SURFACES CHEMETALL U.S., INC. 2021-04-22 US disclosed