SCHEMBL8465614

SCHEMBL8465614

COC(=O)c1cccc(CC2CC(O)c3cc(O)ccc3O2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MRGPRX4 Q96LA9 3/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
ROCK2 O75116 3/20 0.38
PARP1 P09874 1/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8465739 0.82 CYSLTR1 (0.42) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL8464272 0.79 AR (0.45) LOXL2CYP4F2CYP4A11MRGPRX4CD74
SCHEMBL8465608 0.77 LTB4R (0.50) LOXL2CYP3A4
SCHEMBL8465638 0.77 LTB4R (0.50) LOXL2CYP3A4
SCHEMBL8890764 0.77 LTB4R (0.50) LOXL2CYP3A4
SCHEMBL8465636 0.77 LTB4R (0.50) LOXL2CYP3A4
SCHEMBL8522152 0.76 IDO1 (0.40)
SCHEMBL8888420 0.72 MTNR1A (0.44) LOXL2CYP4F2CYP4A11MRGPRX4CD74
SCHEMBL8462129 0.71 MAOB (0.46) LOXL2CYP4F2CYP4A11MRGPRX4CD74
SCHEMBL757429 0.69 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5

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 3 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
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