SCHEMBL6207300

SCHEMBL6207300

COc1ccc(C(=O)C(N)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
MAOB P27338 2/20 0.56
PARP10 Q53GL7 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PLA2G4B P0C869 1/20 0.52

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
Hydrochloric Acid SCHEMBL6210482 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2POLBMAOB
Hydrochloric Acid SCHEMBL6207459 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2POLBMAOB
SCHEMBL6208081 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMAOB
SCHEMBL6207298 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMAOB
Hydrochloric Acid SCHEMBL6207662 0.85 MEN1 (0.55) RAB9ANPC1SMN1; SMN2POLBMAOB
SCHEMBL6208904 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2POLBMAOB
SCHEMBL6210392 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2POLBMAOB
Hydrochloric Acid SCHEMBL6540579 0.82 CA1 (0.53) RAB9ANPC1SMN1; SMN2POLBPARP10
SCHEMBL3619364 0.81 LTA4H (0.64) RAB9ANPC1SMN1; SMN2MAOBPARP10
SCHEMBL28423110 0.81 MAOB (0.61) RAB9ANPC1SMN1; SMN2POLBMAOB

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
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed