SCHEMBL11320135

SCHEMBL11320135

C=CCP(C)(=O)OCCCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.47
LPAR2 Q9HBW0 8/20 0.47
LPAR1 Q92633 4/20 0.47
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDC25A P30304 1/20 0.39
AGTR1 P30556 1/20 0.39
AKT1 P31749 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11312199 0.98 LPAR3 (0.50) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL11311349 0.94 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL11322956 0.86 MEN1 (0.34) LPAR3LPAR2CYP3A4
SCHEMBL776818 0.82 LPAR3 (0.48) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL11315336 0.81 LPAR3 (0.52) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL776819 0.79 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL28868290 0.78 LPAR3 (0.58) LPAR3LPAR2LPAR1CYP3A4
Phosphine SCHEMBL27341952 0.78 LPAR3 (0.53) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL9751249 0.77
SCHEMBL7032466 0.77 LPAR3 (0.56) LPAR3LPAR2LPAR1CYP3A4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed
EP-0012452-A2 Phosphoric acid esters and their use in pesticidal compositions BAYER AG (DE) 1980-06-25 EP disclosed