SCHEMBL8465134

SCHEMBL8465134

COc1ccc2c(c1)C(=O)C(Cc1cncnc1)CO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 3/20 0.54
ALOX12 P18054 3/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
CYP19A1 P11511 8/20 0.54
MAOB P27338 4/20 0.50
CYP26A1 O43174 1/20 0.40
CYP24A1 Q07973 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8462441 0.88 CYP19A1 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8466308 0.87 CYP19A1 (0.63) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8463991 0.84 MAOB (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8465206 0.82 MAOB (0.53) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8465989 0.80 CYP3A4 (0.64) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8465133 0.80 CYP19A1 (0.55) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8888991 0.80 CYP3A4 (0.58) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8464540 0.76 CYP3A4 (0.49) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16264014 0.76 CYP3A4 (0.72) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28259502 0.74 MAOB (0.72) 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 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