SCHEMBL8987135

SCHEMBL8987135

O=c1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.55
PTPRC P08575 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
BCL2L1 Q07817 1/20 0.47
PDE10A Q9Y233 1/20 0.46
SLC6A9 P48067 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL9522268 0.85 ALDH1A1 (0.49) PIK3C3PTPRCKDM4EALDH1A1SMN1; SMN2
SCHEMBL6757588 0.83 PTGS2 (0.55) PTPRCKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8987394 0.78 PIK3C3 (0.64) PIK3C3KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11959778 0.74 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL11959774 0.73 PDE10A (0.44) PTPRCKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3329851 0.73 PIM1 (0.65) PIK3C3KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13567347 0.73 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3570396 0.73 PTPRC (0.50) PTPRCKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11959776 0.72 ERN1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL11959785 0.71 ERN1 (0.43) PTPRCALDH1A1SMN1; SMN2MAPTKMT2A

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed