SCHEMBL8464272

SCHEMBL8464272

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
GSK3B P49841 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ROCK2 O75116 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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

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
SCHEMBL9818700 0.85 SIGMAR1 (0.43) ARLOXL2GSK3BALDH1A1MAPT
SCHEMBL9520020 0.82 CYP19A1 (0.51) LOXL2CYP3A4MAOB
SCHEMBL8465614 0.79 LOXL2 (0.43) LOXL2CYP4F2CYP4A11CYP3A4PARP1
SCHEMBL8462129 0.77 MAOB (0.46) LOXL2CYP4F2CYP4A11CYP3A4MRGPRX4
SCHEMBL30726843 0.75 SMN1; SMN2 (0.41) ARKDM4EALDH1A1MAPTRAB9A
SCHEMBL8888420 0.74 MTNR1A (0.44) LOXL2CYP4F2CYP4A11MRGPRX4GSK3B
SCHEMBL10949426 0.73 PPM1D (0.46) LOXL2CYP4F2CYP4A11SLC7A5ROCK2
SCHEMBL17708995 0.72 CYP19A1 (0.70) ARMAOAMAOB
SCHEMBL17708996 0.72 CYP19A1 (0.70) ARMAOAMAOB
SCHEMBL8465638 0.71 LTB4R (0.50) LOXL2CYP3A4

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