Sugi Predict

Sugi Predict / Compounds / SCHEMBL7785012

SCHEMBL7785012

SCHEMBL7785012

C[C@@H](NC(c1ccc(Cl)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 2/20 0.35
▸ MAPKAPK2 P49137 10/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL7788883 1.00 S1PR3 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7787605 0.94 S1PR3 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7787702 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLB
SCHEMBL7784913 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLB
SCHEMBL7785106 0.92 MAPKAPK2 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7780413 0.92 MAPKAPK2 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7785532 0.90 KMT2A (0.38) MAPKAPK2MAPK14POLB
SCHEMBL7787592 0.90 KMT2A (0.38) MAPKAPK2MAPK14POLB
SCHEMBL7785097 0.90 MAPKAPK2 (0.39) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7780619 0.90 MAPKAPK2 (0.39) S1PR3MAPKAPK2MAPK14POLB

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 — — US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 — — EP disclosed