SCHEMBL8465989

SCHEMBL8465989

COc1ccc2c(c1)OCC(Cc1cccnc1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
MAPT P10636 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 2/20 0.61
ALDH1A1 P00352 2/20 0.61
USP2 O75604 1/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
CYP19A1 P11511 6/20 0.54
MAOB P27338 3/20 0.49
PDE4D Q08499 2/20 0.48
TNIK Q9UKE5 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRA5 P31644 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
SCHEMBL8462441 0.92 CYP19A1 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9323920 0.83 MAOB (0.49) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8461403 0.83 MAOB (0.52) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6822323 0.80 CYP19A1 (0.76) CYP19A1PDE4D
SCHEMBL8465134 0.80 CYP3A4 (0.57) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8466153 0.79 LTB4R (0.67)
SCHEMBL9324238 0.79 LTB4R (0.68) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
Deoxysappanone B Trimethyl Ether SCHEMBL4736096 0.78 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5857661 0.78 CYP19A1 (0.85) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
Deoxysappanone B Trimethyl Ether SCHEMBL29903817 0.78 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2

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 8 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-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