SCHEMBL8465876

SCHEMBL8465876

O=C1c2cc(O)ccc2OCC1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
CYP19A1 P11511 6/20 0.46
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.42
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTB4R Q15722 2/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL8461403 0.92 MAOB (0.52) MAOBCYP19A1SIGMAR1HTR1APDE4D
SCHEMBL8465206 0.87 MAOB (0.53) MAOBCYP19A1SIGMAR1HTR1ACYP3A4
SCHEMBL8462840 0.85 CYP19A1 (0.60) MAOBCYP19A1CYP3A4MAPTHPGD
SCHEMBL8461434 0.85 MAOB (0.70) MAOBCYP19A1SIGMAR1HTR1ACYP3A4
SCHEMBL8462441 0.83 CYP19A1 (0.65) MAOBCYP19A1PDE4DCYP3A4MAPT
SCHEMBL9183230 0.78 MAOB (0.53) MAOBCYP19A1SIGMAR1HTR1ACYP3A4
SCHEMBL8465603 0.78 MAOB (0.46) MAOBCYP19A1SIGMAR1HTR1APDE4D
SCHEMBL8465989 0.77 CYP3A4 (0.64) MAOBCYP19A1PDE4DCYP3A4MAPT
SCHEMBL8465454 0.77 MAOB (0.56) MAOBCYP3A4MAPTHPGDMEN1
SCHEMBL8466345 0.76 LTB4R (0.66) CYP19A1LTB4R

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