SCHEMBL8490989

SCHEMBL8490989

CC(=O)Oc1ccc2oc(=O)c(OC/C=C(\C)CCC=C(C)C)c(OC(C)=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ SI P14410 2/20 0.56
▸ PTPN1 P18031 2/20 0.56
▸ MGAM2 Q2M2H8 2/20 0.56
▸ MAOB P27338 2/20 0.55
▸ ALOX15 P16050 9/20 0.53
▸ MAOA P21397 1/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ NDUFS8 O00217 2/20 0.52
▸ COXFA4 O00483 2/20 0.52
▸ NDUFAB1 O14561 2/20 0.52
▸ NDUFA1 O15239 2/20 0.52

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
SCHEMBL8490264 0.92 MGAM (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL8490260 0.92 MGAM (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL8492879 0.92 TDP1 (0.57) MGAMGAASIPTPN1MGAM2
SCHEMBL8491514 0.90 TDP1 (0.57) MGAMGAASIPTPN1MGAM2
SCHEMBL8491635 0.88 MAOB (0.60) MGAMGAASIPTPN1MGAM2
SCHEMBL8492359 0.88 TDP1 (0.57) MGAMGAASIPTPN1MGAM2
SCHEMBL8490873 0.87 TDP1 (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL8490880 0.87 TDP1 (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL8493460 0.86 TDP1 (0.54) MGAMGAASIPTPN1MGAM2
SCHEMBL8493454 0.86 TDP1 (0.54) MGAMGAASIPTPN1MGAM2

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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