SCHEMBL28965481

SCHEMBL28965481

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CP(=O)(OCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.53
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
FAAH O00519 5/20 0.45
TRPV1 Q8NER1 1/20 0.45
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
ALDH1A1 P00352 2/20 0.41
S1PR2 O95136 1/20 0.41
TSPO P30536 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GGPS1 O95749 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PLA2G4A P47712 1/20 0.40
PAFAH1B2 P68402 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21638735 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL11447221 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL8052980 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL11273413 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL11273408 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL11447222 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL6542265 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL8052984 1.00 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL2363295 0.98 LPAR3 (0.55) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL2363294 0.98 LPAR3 (0.55) LPAR3LPAR1LPAR2FAAHTRPV1

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-110499204-B Slideway lubricant 雅富顿化学公司 2023-03-14 CN disclosed