SCHEMBL10463185

SCHEMBL10463185

COC(=O)COc1cccc2c1CCCC2NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.56
TAS1R1 Q7RTX1 5/20 0.56
TAS1R2 Q8TE23 3/20 0.56
HTT P42858 1/20 0.54
LIPG Q9Y5X9 1/20 0.53
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGIR P43119 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10464516 0.90 PTGIR (0.58) TAS1R3TAS1R1TAS1R2HTTLIPG
SCHEMBL7492500 0.79 KMT2A (0.53) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL7482096 0.78 PTGIR (0.45) TAS1R3TAS1R1TAS1R2LMNAMEN1
SCHEMBL10358029 0.78 DHODH (0.49) TAS1R3TAS1R1TAS1R2LIPGMEN1
SCHEMBL10357301 0.77 HTT (0.67) TAS1R3TAS1R1TAS1R2HTTLMNA
SCHEMBL8411209 0.77 PTGIR (0.56) PTGIR
SCHEMBL9014591 0.76 PTGIR (0.82) PTGIR
SCHEMBL8577075 0.76 PTGIR (0.64) PTGIR
SCHEMBL10463186 0.75 HTT (0.55) TAS1R3TAS1R1TAS1R2HTTLMNA
SCHEMBL8413684 0.75 PTGIR (0.57) PTGIR

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-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed