SCHEMBL22198792

SCHEMBL22198792

C[C@@H]1CC2OC(=O)[C@@H](C)[C@H]2C[C@]2(C)C(=O)C=C[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ HTT P42858 4/20 0.58
▸ XBP1 P17861 3/20 0.58
▸ MDM2 Q00987 3/20 0.58
▸ POLB P06746 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ AGTR1 P30556 3/20 0.43
▸ GPR55 Q9Y2T6 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TERT O14746 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RECQL P46063 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TAS2R46 P59540 2/20 0.39

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
Aromaticin SCHEMBL22198794 0.74 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1
Aromaticin SCHEMBL23601536 0.74 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1
Aromaticin SCHEMBL29399080 0.74 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1
Aromaticin SCHEMBL30237568 0.74 MAPT (1.00) MAPTRAB9ANPC1HTTXBP1
SCHEMBL6423690 0.73 MAPT (0.58) MAPTRAB9ANPC1HTTXBP1
SCHEMBL30151485 0.73 MAPT (0.58) MAPTRAB9ANPC1HTTXBP1
SCHEMBL30899614 0.73 MAPT (0.58) MAPTRAB9ANPC1HTTXBP1
SCHEMBL30555888 0.70 MAPT (0.52) MAPTRAB9ANPC1HTTXBP1
SCHEMBL23572759 0.68 MAPT (0.58) MAPTRAB9ANPC1HTTXBP1
SCHEMBL25363305 0.66 MAPT (0.51) MAPTRAB9ANPC1HTTXBP1

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-2020141891-A1 SELECTIVE EXTRACTION METHOD FOR NATURAL SUBSTANCES 주식회사 디네이쳐 2020-07-09 — — WO disclosed
Send feedback