SCHEMBL10689948

SCHEMBL10689948

COc1ccc2c(c1OC)C(=O)OC2c1c(C)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 9/20 0.45
▸ HPGD P15428 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ TLR4 O00206 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDR P35968 1/20 0.41

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
SCHEMBL4597661 0.74 CGAS (0.52) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL30839895 0.74 CGAS (0.52) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL11098143 0.69 GAA (0.41) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL675930 0.66 KDM4E (0.46) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10686771 0.65 MAPT (0.52) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL14970288 0.65 KDM4E (0.73) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL16209362 0.65 KDM4E (0.73) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL22703276 0.65 KDM4E (0.65) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL11236067 0.65 KDM4E (0.54) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL7825295 0.65 KDM4E (0.65) MAPTKMT2AALDH1A1HSD17B10MEN1

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 — — US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 — — US disclosed
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