SCHEMBL4744447

SCHEMBL4744447

CC1(C)Oc2cc3oc(=O)ccc3cc2CC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.61
▸ ACHE P22303 5/20 0.61
▸ MGAM O43451 2/20 0.61
▸ SI P14410 2/20 0.61
▸ PTPN1 P18031 2/20 0.61
▸ MGAM2 Q2M2H8 2/20 0.61
▸ ALDH1A1 P00352 10/20 0.54
▸ KDM4E B2RXH2 10/20 0.54
▸ HPGD P15428 8/20 0.54
▸ HSD17B10 Q99714 6/20 0.51
▸ CA9 Q16790 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ CA12 O43570 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CA1 P00915 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CA7 P43166 1/20 0.51

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
SCHEMBL14105932 0.87 GAA (0.57) GAAACHEMGAMSIPTPN1
SCHEMBL14105799 0.84 GAA (0.57) GAAACHEMGAMSIPTPN1
SCHEMBL23302557 0.79 GAA (0.61) GAAACHEMGAMSIPTPN1
Dihydroxanthyletin SCHEMBL4741095 0.78 GAA (0.60) GAAACHEMGAMSIPTPN1
SCHEMBL14105337 0.76 GAA (0.76) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL3895912 0.76 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL14105325 0.76 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL18845442 0.76 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL30034733 0.76 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL29517185 0.76 GAA (1.00) GAAACHEMGAMSIPTPN1

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
WO-2022154356-A1 COMPOSITION COMPRISING (7S)-(+)-CYCLOPENTYL CARBARMIC ACID, 8,8-DIMETHYL-2-OXO-6,7-DIHYDRO-2H,8H-PYRANO[3,2-G]CHROMEN-7-YL-ESTER AS ACTIVE INGREDIENT FOR PREVENTION, ALLEVIATION, OR TREATMENT OF EYE DISEASE 국민대학교 산학협력단 2022-07-21 — — WO disclosed
WO-2008102994-A1 COMPOSITION COMPRISING DECURSIN DERIVATIVE FOR TREATING AND PREVENTING ATOPIC DERMATITIS PARK YONG JIN (KR) 2008-08-28 — — WO disclosed
WO-2008102994-A1 COMPOSITION COMPRISING DECURSIN DERIVATIVE FOR TREATING AND PREVENTING ATOPIC DERMATITIS PARK YONG JIN (KR) 2008-08-28 — — WO disclosed
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