SCHEMBL8466308

SCHEMBL8466308

COc1ccc2c(c1)C(=O)C(Cc1ccncc1)CO2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.63
CYP3A4 P08684 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
MAOB P27338 3/20 0.54
PDE4D Q08499 2/20 0.43

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
SCHEMBL8463991 0.88 MAOB (0.65) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8465134 0.87 CYP3A4 (0.57) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8462441 0.86 CYP19A1 (0.65) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8462840 0.81 CYP19A1 (0.60) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8888991 0.81 CYP3A4 (0.58) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8465133 0.81 CYP19A1 (0.55) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8464540 0.80 CYP3A4 (0.49) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL16264014 0.79 CYP3A4 (0.72) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL6378133 0.79 CYP19A1 (0.81) CYP19A1PDE4D
SCHEMBL28948138 0.78 MAOB (0.78) CYP19A1CYP3A4MAPTMEN1KMT2A

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