SCHEMBL10463186

SCHEMBL10463186

COC(=O)C(O)c1cccc2c1CCCC2NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 2/20 0.48
TAS1R3 Q7RTX0 8/20 0.47
TAS1R1 Q7RTX1 8/20 0.47
TAS1R2 Q8TE23 6/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTSS P25774 1/20 0.44
TSHR P16473 2/20 0.43

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
SCHEMBL10464517 0.89 HTT (0.60) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL10357301 0.78 HTT (0.67) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL10465490 0.76 DHODH (0.48) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL10463185 0.75 TAS1R3 (0.56) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL10464516 0.73 PTGIR (0.58) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL2406255 0.72 HTT (1.00) HTTKMT2AMEN1LMNATAS1R3
SCHEMBL1222346 0.72 PTGDR2 (0.41) TSHR
SCHEMBL2062415 0.72 PTGDR2 (0.41) TSHR
SCHEMBL2062805 0.72 PTGDR2 (0.41) TSHR
SCHEMBL5436807 0.72 HTT (1.00) HTTKMT2AMEN1LMNATAS1R3

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