SCHEMBL14105337

SCHEMBL14105337

C[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.76
▸ ACHE P22303 3/20 0.76
▸ MGAM O43451 1/20 0.76
▸ SI P14410 1/20 0.76
▸ PTPN1 P18031 1/20 0.76
▸ MGAM2 Q2M2H8 1/20 0.76
▸ MAOA P21397 1/20 0.59
▸ NPC1 O15118 2/20 0.54
▸ KDM4E B2RXH2 11/20 0.53
▸ ALDH1A1 P00352 10/20 0.53
▸ HPGD P15428 9/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 6/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
Decursinol SCHEMBL18845442 0.86 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL29517185 0.86 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL14105325 0.86 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL30034733 0.86 GAA (1.00) GAAACHEMGAMSIPTPN1
Decursinol SCHEMBL3895912 0.86 GAA (1.00) GAAACHEMGAMSIPTPN1
SCHEMBL23983278 0.83 GAA (0.71) GAAACHEMGAMSIPTPN1
SCHEMBL15444405 0.80 MAOA (0.67) GAAACHEMGAMSIPTPN1
SCHEMBL4744411 0.79 GAA (0.65) GAAACHEMGAMSIPTPN1
SCHEMBL14303565 0.79 MAOA (0.66) GAAACHEMGAMSIPTPN1
SCHEMBL4740846 0.79 MAOA (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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