SCHEMBL8494633

SCHEMBL8494633

CC(=O)Oc1c(OC(C)=O)c2ccc(OC/C=C(\C)CCC=C(C)C)cc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 8/20 0.61
▸ TDP1 Q9NUW8 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ MAOB P27338 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ MTNR1A P48039 2/20 0.61
▸ NDUFS8 O00217 2/20 0.61
▸ COXFA4 O00483 2/20 0.61
▸ NDUFAB1 O14561 2/20 0.61
▸ NDUFA1 O15239 2/20 0.61
▸ NDUFS4 O43181 2/20 0.61
▸ NDUFB5 O43674 2/20 0.61
▸ NDUFB3 O43676 2/20 0.61
▸ NDUFC1 O43677 2/20 0.61
▸ NDUFA2 O43678 2/20 0.61

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
SCHEMBL8491635 0.97 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8493204 0.97 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8493946 0.95 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8493939 0.95 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8495544 0.95 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8495550 0.95 MAOB (0.60) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8492359 0.93 TDP1 (0.57) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8492879 0.93 TDP1 (0.57) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8490457 0.92 MAOB (0.55) ALOX15TDP1KDM4EALDH1A1CYP3A4
SCHEMBL8494677 0.92 MAOB (0.58) ALOX15TDP1KDM4EALDH1A1CYP3A4

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
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