SCHEMBL8495490

SCHEMBL8495490

COc1ccc2c(OC/C=C(\C)CCC=C(C)C)c(OC(=O)c3ccccc3)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ TDP1 Q9NUW8 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ BACE1 P56817 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP3A5 P20815 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL8495500 1.00 MAOB (0.52) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8493196 0.97 MAOB (0.52) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8493207 0.97 MAOB (0.52) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8491286 0.95 MAOB (0.56) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8494033 0.93 KDM4E (0.50) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8494038 0.93 KDM4E (0.50) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8494308 0.93 MAOB (0.56) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8494313 0.93 MAOB (0.56) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8493594 0.92 MAOB (0.57) MAOBMAOATDP1KDM4EALDH1A1
SCHEMBL8495572 0.92 KDM4E (0.49) MAOBMAOATDP1KDM4EALDH1A1

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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