SCHEMBL9208403

SCHEMBL9208403

COC(=O)Cc1ccc(-c2ccccc2)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PDK2 Q15119 1/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TSHR P16473 1/20 0.45
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL9205940 0.84 LTB4R (0.52) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL1798226 0.83 CYP4F2 (0.51) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL9207785 0.82 GAA (0.56) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL137683 0.82 SLC7A5 (0.42) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL19068064 0.81 HPGD (0.53) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL18232223 0.81 ALDH1A1 (0.53) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL9203874 0.80 LTB4R (0.51) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL4205169 0.80 HPGD (0.52) HPGDNPC1PKMNFKB1RAB9A
Methane SCHEMBL9085715 0.79 HPGD (0.51) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL9205118 0.78 ALDH1A1 (0.50) HPGDNPC1PKMNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed