SCHEMBL9323920

SCHEMBL9323920

O=C1c2ccc(OC(c3ccccc3)c3ccccc3)cc2OCC1Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
CYP3A4 P08684 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 4/20 0.45
LTB4R Q15722 5/20 0.44
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.39
PDE4D Q08499 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL8465989 0.83 CYP3A4 (0.64) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL9324238 0.81 LTB4R (0.68) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8461403 0.78 MAOB (0.52) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL9326054 0.78 LTB4R (0.69) LTB4R
SCHEMBL9326055 0.78 LTB4R (0.69) LTB4R
SCHEMBL9326052 0.78 LTB4R (0.69) LTB4R
SCHEMBL8462441 0.76 CYP19A1 (0.65) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL8466153 0.76 LTB4R (0.67) LTB4R
SCHEMBL9326026 0.75 LTB4R (0.65) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL23882635 0.74 GRM5 (0.53) MAOBMAPTMEN1KMT2ASMN1; 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-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
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