SCHEMBL8465206

SCHEMBL8465206

O=C1c2cc(O)ccc2OCC1Cc1cncnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
CYP19A1 P11511 4/20 0.44
CYP3A4 P08684 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP26A1 O43174 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HTR1A P08908 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RAB9A P51151 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
SCHEMBL8465876 0.87 MAOB (0.51) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8462840 0.86 CYP19A1 (0.60) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8461434 0.83 MAOB (0.70) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8465134 0.82 CYP3A4 (0.57) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8465454 0.80 MAOB (0.56) MAOBCYP3A4MAPTHPGDMEN1
SCHEMBL8461403 0.78 MAOB (0.52) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8465603 0.78 MAOB (0.46) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL9183230 0.76 MAOB (0.53) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL799753 0.76 MAOB (0.58) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8465207 0.75 MAOB (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed