SCHEMBL8462129

SCHEMBL8462129

COC(=O)c1cccc(CC2COc3ccc(O)cc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
CYP3A4 P08684 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
HDAC1 Q13547 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9183230 0.87 MAOB (0.53) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL9520014 0.83 CYP3A4 (0.64) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8462064 0.82 CYP3A4 (0.56) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8461434 0.81 MAOB (0.70) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8888420 0.80 MTNR1A (0.44) MAPTMEN1KMT2ATP53LOXL2
SCHEMBL8466024 0.79 MAOB (0.54) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL6999719 0.78 MAOB (0.54) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8461238 0.78 MAOB (0.41) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8465636 0.77 LTB4R (0.50) CYP3A4USP2LOXL2
SCHEMBL8465638 0.77 LTB4R (0.50) CYP3A4USP2LOXL2

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 9 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-5298512-A Substituted chromans and their use in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1994-03-29 US disclosed
EP-0391625-B1 Substituted chromans in the treatment of asthma, arthritis and related diseases PFIZER (US) 1994-01-26 EP 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-5149703-A Anti-asthma, allergen and inflammatory agents, cyctoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-09-22 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1990012010-A1 SUBSTITUTED CHROMANS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO disclosed
EP-0391625-A1 Substituted chromans in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP 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