SCHEMBL4380372

SCHEMBL4380372

FC(F)(F)Oc1ccc(COc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.57
APP P05067 1/20 0.56
PPARG P37231 2/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL5784957 0.94 MRGPRX4 (0.63) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL11310984 0.89 MRGPRX4 (0.58) MRGPRX4PPARGLMNACYP1A2PTGS1
SCHEMBL5105144 0.89 MRGPRX4 (0.58) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL12952731 0.85 APP (0.59) MRGPRX4APPLMNACYP1A2PTGS1
SCHEMBL14163891 0.85 RXRA (0.56) MRGPRX4APPMAOBL3MBTL1PTPRZ1
SCHEMBL14437997 0.84 MAOB (0.54) MRGPRX4MAOBBCHEMAPTRAB9A
SCHEMBL5921896 0.84 MAOB (0.70) MRGPRX4APPMAOBGAAMAPT
SCHEMBL5545066 0.82 PTPRZ1 (0.49) MRGPRX4APPMAOBPTPRZ1MMP1
SCHEMBL15110988 0.82 CYP19A1 (0.54) MRGPRX4MAOBPTPRZ1MMP1MMP2
SCHEMBL28422875 0.82 MAOB (0.62) MRGPRX4MAOBBCHEMAOAPTPN2

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
WO-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed