SCHEMBL17577412

SCHEMBL17577412

C=CCCCCOC(COC)COCCCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.50
LPAR3 Q9UBY5 8/20 0.50
LPAR2 Q9HBW0 3/20 0.50
TSHR P16473 1/20 0.50
PLA2G2C Q5R387 1/20 0.47
LPAR6 P43657 2/20 0.47
LPAR4 Q99677 2/20 0.47
LPAR5 Q9H1C0 2/20 0.47
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
USP2 O75604 1/20 0.44
DNM1 Q05193 1/20 0.42

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
SCHEMBL26305070 0.95 LPAR3 (0.43) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL27606019 0.91 LPAR1 (0.50) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL2234079 0.89 CNR1 (0.55) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL2233827 0.89 CNR1 (0.55) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL2232371 0.89 CNR1 (0.55) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL707510 0.89 CNR1 (0.55) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL2231650 0.89 CNR1 (0.55) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL8746895 0.89 TSHR (0.52) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL31238653 0.88 LPAR3 (0.44) LPAR1LPAR3LPAR2TSHRPLA2G2C
SCHEMBL17641330 0.88 TSHR (0.50) LPAR1LPAR3LPAR2TSHRPLA2G2C

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
EP-2604614-B1 Oxidized phospholipids VASCULAR BIOGENICS LTD (IL) 2016-03-09 EP disclosed