SCHEMBL8465207

SCHEMBL8465207

O=C1c2cc(O)ccc2OCC1Cc1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
CYP19A1 P11511 3/20 0.37
ALOX12 P18054 2/20 0.36
MAPT P10636 4/20 0.35
CYP3A4 P08684 4/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.34
ROCK2 O75116 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ESR1 P03372 1/20 0.33
HSD17B3 P37058 1/20 0.33
HTR1A P08908 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8464540 0.83 CYP3A4 (0.49) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8462840 0.78 CYP19A1 (0.60) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8465603 0.78 MAOB (0.46) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8461434 0.75 MAOB (0.70) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8465206 0.75 MAOB (0.53) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8465876 0.74 MAOB (0.51) MAOBCYP19A1ALOX12MAPTCYP3A4
SCHEMBL8462632 0.73 LTB4R (0.40) CYP3A4ALDH1A1USP2TP53DRD2
SCHEMBL8462630 0.73 LTB4R (0.40) CYP3A4ALDH1A1USP2TP53DRD2
SCHEMBL8462628 0.73 LTB4R (0.40) CYP3A4ALDH1A1USP2TP53DRD2
SCHEMBL8465454 0.72 MAOB (0.56) MAOBALOX12MAPTCYP3A4HPGD

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