SCHEMBL14458097

SCHEMBL14458097

COc1cc(OC)c(O)c(C(C)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ CYP1A2 P05177 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ TUBB4A P04350 1/20 0.40

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
SCHEMBL7316387 0.78 LMNA (0.47) LMNAPKMCA12CA1CA2
SCHEMBL22040677 0.74 POLB (0.44) LMNACYP1A2CA9CYP3A4KDM4E
SCHEMBL14458102 0.70 POLB (0.44) CYP1A2CYP3A4KDM4EALDH1A1HTT
SCHEMBL17416879 0.70 PKM (0.50) LMNAPKMCA12CA1CA2
SCHEMBL14458094 0.70 MAOB (0.46) LMNASMN1; SMN2HPGD
SCHEMBL14284230 0.69 LMNA (0.44) LMNACYP3A4KDM4EALDH1A1HTT
SCHEMBL5092353 0.69 CYP1A2 (0.57) LMNACYP1A2KDM4EALDH1A1SMN1; SMN2
Acetosyringone SCHEMBL15511 0.69 LMNA (1.00) LMNACYP1A2PKMCA12CA1
SCHEMBL19546004 0.69 ALDH1A1 (0.67) LMNACYP1A2CA5ACYP3A4KDM4E
SCHEMBL29432823 0.67 NNMT (0.47) CYP1A2PKMKDM4EALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 — — US disclosed
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 — — US disclosed
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