SCHEMBL6991476

SCHEMBL6991476

[CH2]C(c1ccc(F)cc1)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
NFE2L2 Q16236 2/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASR P41180 1/20 0.43
GAA P10253 2/20 0.43
MGLL Q99685 1/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 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
SCHEMBL8317373 0.88 CASR (0.51) MAOBALDH1A1CYP3A4CASRAOC3
SCHEMBL8081764 0.81 MEN1 (0.49) MAOBKMT2AMEN1CASRMAPT
SCHEMBL6990299 0.78 MAOB (0.54) MAOBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1515892 0.76 NFE2L2 (0.49) MAOBNFE2L2KMT2AMEN1ALDH1A1
SCHEMBL27669927 0.75 LMNA (0.43) NFE2L2ALDH1A1LMNAHTTNPSR1
SCHEMBL2122133 0.75 LMNA (0.43) NFE2L2ALDH1A1LMNAHTTNPSR1
SCHEMBL5990929 0.74 CASR (0.50) ALDH1A1CYP3A4CASRAOC3
SCHEMBL14060408 0.74 CASR (0.50) ALDH1A1CYP3A4CASRAOC3
SCHEMBL7813382 0.74 MAOB (0.65) MAOBKMT2ACASRSMN1; SMN2NPC1
SCHEMBL7813826 0.74 L3MBTL1 (0.52) NFE2L2KMT2AMEN1ALDH1A1GAA

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
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed