SCHEMBL11320138

SCHEMBL11320138

C=CCC[PH](=O)OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
ALDH1A1 P00352 1/20 0.41
PLA2G2C Q5R387 1/20 0.36
HPGD P15428 1/20 0.32
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL11312201 0.98 TSHR (0.47) TSHRALDH1A1PLA2G2CLPAR2LPAR3
SCHEMBL11311355 0.94 TSHR (0.43) TSHRALDH1A1PLA2G2CHPGD
SCHEMBL11322961 0.86 TSHR (0.39) TSHRALDH1A1
SCHEMBL11313353 0.85 TSHR (0.46) TSHRALDH1A1PLA2G2CHPGDLPAR2
SCHEMBL3366152 0.82 TSHR (0.38) TSHRALDH1A1PLA2G2CHPGDLPAR2
SCHEMBL28985816 0.81 TSHR (0.41) TSHRPLA2G2CLPAR2LPAR3ZDHHC20
SCHEMBL969714 0.80 CA1 (0.37) TSHRHPGDLPAR2LPAR3CA1
SCHEMBL3821722 0.80 CA1 (0.37) TSHRHPGDLPAR2LPAR3CA1
SCHEMBL7733501 0.80 CA1 (0.37) TSHRHPGDLPAR2LPAR3CA1
SCHEMBL11310207 0.79 TSHR (0.43) TSHRALDH1A1LPAR2LPAR3

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-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed