SCHEMBL5208618

SCHEMBL5208618

COc1cc(OB(O)O)cc(OC)c1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GRM6 O15303 1/20 0.33
F11 P03951 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.32
STING1 Q86WV6 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5623315 0.81 CYP2C9 (0.37) USP2CYP3A4MAPK1SMN1; SMN2MTNR1A
SCHEMBL5236558 0.77 MTNR1A (0.42) USP2CYP3A4MAPK1SMN1; SMN2MTNR1A
SCHEMBL29097074 0.76 CYP3A4 (0.63) USP2CYP3A4MAPK1SMN1; SMN2KMT2A
SCHEMBL21591091 0.72 CYP3A4 (0.41) USP2CYP3A4MAPK1SMN1; SMN2MTNR1A
SCHEMBL5203894 0.72 CYP3A4 (0.38) USP2CYP3A4MAPK1SMN1; SMN2KMT2A
SCHEMBL28465659 0.72 ALDH1A1 (0.49) SMN1; SMN2KMT2AKDM4ENPSR1ABCB1
SCHEMBL31313234 0.72 KDM4E (0.32) MAPK1SMN1; SMN2MTNR1AMTNR1BKMT2A
SCHEMBL21591073 0.71 MTNR1A (0.41) MAPK1SMN1; SMN2MTNR1AMTNR1BKMT2A
SCHEMBL21591042 0.71 MTNR1A (0.36) MAPK1SMN1; SMN2MTNR1AMTNR1BKMT2A
SCHEMBL20987104 0.70 ELANE (0.50) MAPK1ABCG2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed