SCHEMBL8465149

SCHEMBL8465149

COc1ccc2c(c1)[C@@H](O)[C@H](Oc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
MTNR1A P48039 4/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 1/20 0.43
MTNR1B P49286 4/20 0.43
NQO2 P16083 3/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL8465154 1.00 KDM1A (0.50) KDM1AMAOAMAOBMTNR1ASIGMAR1
SCHEMBL8465226 0.83 ESR1 (0.41) HTR2A
SCHEMBL8465230 0.83 ESR1 (0.41) HTR2A
SCHEMBL8465223 0.83 ESR1 (0.41) HTR2A
SCHEMBL8348055 0.77 ALOX5 (0.38)
SCHEMBL8348060 0.77 ALOX5 (0.38)
SCHEMBL8348051 0.77 ALOX5 (0.38)
SCHEMBL7245074 0.76 SIGMAR1 (0.50) KDM1AMAOAMAOBMTNR1ASIGMAR1
SCHEMBL4132717 0.76 MTNR1A (0.49) MTNR1ASIGMAR1CYP19A1CYP11B1MTNR1B
SCHEMBL30715531 0.76 MTNR1A (0.49) MTNR1ASIGMAR1CYP19A1CYP11B1MTNR1B

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