SCHEMBL8464607

SCHEMBL8464607

O=C1c2cc(SO)ccc2OCC1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.65
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
HDAC1 Q13547 1/20 0.44
CYP19A1 P11511 6/20 0.40
CYP3A4 P08684 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL8462761 0.84 MAOB (0.61) MAOBSIGMAR1HTR1AHDAC1CYP19A1
SCHEMBL8461434 0.83 MAOB (0.70) MAOBSIGMAR1HTR1AHDAC1CYP19A1
SCHEMBL29478296 0.80 MAOB (1.00) MAOBSIGMAR1HTR1AHDAC1CYP19A1
SCHEMBL2400347 0.80 MAOB (1.00) MAOBSIGMAR1HTR1AHDAC1CYP19A1
SCHEMBL8463991 0.78 MAOB (0.65) MAOBSIGMAR1HTR1ACYP19A1CYP3A4
SCHEMBL6664813 0.75 MAOB (0.58) MAOBSIGMAR1HTR1AHDAC1MAPT
SCHEMBL8461451 0.75 MAOB (0.48) MAOBSIGMAR1HTR1ALTB4RLTB4R2
SCHEMBL16264009 0.74 MAOB (0.64) MAOBSIGMAR1HTR1ACYP3A4MAPT
SCHEMBL9183230 0.71 MAOB (0.53) MAOBSIGMAR1HTR1AHDAC1CYP19A1
SCHEMBL8462840 0.71 CYP19A1 (0.60) MAOBCYP19A1CYP3A4MAPTHPGD

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
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed