SCHEMBL8490928

SCHEMBL8490928

CCCCCCCCCCOc1c(OC)c2ccc(OC/C=C(\C)CCC=C(C)C)cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
ALOX15 P16050 8/20 0.53
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
NDUFS8 O00217 3/20 0.53
COXFA4 O00483 3/20 0.53
NDUFAB1 O14561 3/20 0.53
NDUFA1 O15239 3/20 0.53
NDUFS4 O43181 3/20 0.53
NDUFB5 O43674 3/20 0.53
NDUFB3 O43676 3/20 0.53
NDUFC1 O43677 3/20 0.53
NDUFA2 O43678 3/20 0.53
NDUFS5 O43920 3/20 0.53
NDUFS7 O75251 3/20 0.53

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
SCHEMBL8490937 1.00 MAOB (0.54) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8493553 0.96 TDP1 (0.52) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8494825 0.96 MAOB (0.54) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8494833 0.96 MAOB (0.54) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8493542 0.96 TDP1 (0.52) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8491443 0.95 ALOX15 (0.56) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8493327 0.95 ALOX15 (0.55) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8493191 0.95 ALOX15 (0.55) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8490562 0.93 TDP1 (0.52) MAOBMAOAALOX15TDP1CYP3A4
SCHEMBL8491418 0.93 TDP1 (0.52) MAOBMAOAALOX15TDP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed