SCHEMBL8987316

SCHEMBL8987316

COc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
ADORA2A P29274 1/20 0.50
GUSB P08236 1/20 0.48
HPGDS O60760 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4A P27815 2/20 0.45

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
SCHEMBL14648736 0.83 KDM4E (0.52) KDM4EMAPTTHRBADORA2AALDH1A1
SCHEMBL8986985 0.82 KDM4E (0.59) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL8987032 0.82 KDM4E (0.59) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL11959777 0.82 MAPT (0.51) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL8800017 0.81 GAA (0.55) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL8987485 0.80 ALDH1A1 (0.51) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL6756097 0.79 TAS2R38 (0.60) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL11959776 0.78 ERN1 (0.51) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL31078212 0.78 MPO (0.62) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL15436294 0.77 KDM4E (0.51) KDM4EMAPTTHRBHPGDSALDH1A1

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