SCHEMBL9701761

SCHEMBL9701761

C=CCCCCP(=O)(CP(=O)(O)O)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.45
LPAR2 Q9HBW0 5/20 0.45
TSHR P16473 2/20 0.34
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
LPAR1 Q92633 2/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9702696 0.98 LPAR3 (0.47) LPAR3LPAR2TSHRPPARDALDH1A1
SCHEMBL9700840 0.95 LPAR3 (0.42) LPAR3LPAR2TSHRPPARDALDH1A1
SCHEMBL9701946 0.88 PPARD (0.37) LPAR3LPAR2TSHRPPARD
SCHEMBL2954341 0.88 LPAR3 (0.46) LPAR3LPAR2TSHRPPARDALDH1A1
Water SCHEMBL9701961 0.87 PPARD (0.36) LPAR3LPAR2TSHRPPARD
SCHEMBL2954338 0.81 LPAR3 (0.39) LPAR3LPAR2TSHRPPARDALDH1A1
SCHEMBL9701509 0.80 PPARD (0.47) LPAR3LPAR2TSHRPPARD
SCHEMBL9701578 0.80 PPARD (0.52) LPAR3LPAR2TSHRPPARDALDH1A1
SCHEMBL9701504 0.78 PPARD (0.46) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL9702638 0.78 PPARD (0.46) LPAR3LPAR2PPARDALDH1A1LMNA

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-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP disclosed