SCHEMBL7742860

SCHEMBL7742860

CCCc1cc2c(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)cc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ FPR1 P21462 3/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CNR1 P21554 8/20 0.39
▸ CNR2 P34972 7/20 0.38
▸ HPGD P15428 4/20 0.38
▸ NPC1 O15118 3/20 0.38

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
SCHEMBL7150009 0.79 ALDH1A1 (0.60) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL7152017 0.71 ALDH1A1 (0.60) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL19335348 0.67 ELANE (0.49) ALDH1A1LMNAELANE
SCHEMBL7690827 0.66 CNR2 (0.57) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL23393760 0.65 ELANE (0.56) ELANE
SCHEMBL18826237 0.65 ELANE (0.49) ELANE
SCHEMBL9925703 0.64 ELANE (0.64) ELANE
SCHEMBL4708959 0.63 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL32660897 0.63 ELANE (0.49) ELANECNR1CNR2
SCHEMBL13267872 0.63 GAPDH (0.64) KMT2AMEN1KDM4EALDH1A1HSD17B10

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
US-6420571-B2 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
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