SCHEMBL9637863

SCHEMBL9637863

CCc1ccc(OO)c(OO)c1OO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTRC Q99895 1/20 0.32
METAP2 P50579 1/20 0.30

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
SCHEMBL11205189 0.83 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL9474531 0.81 GABRA1 (0.46) GABRA1GABRB2
SCHEMBL11520376 0.75 GABRA1 (0.54) GABRA1GABRB2
SCHEMBL216250 0.68 L3MBTL1 (0.53) GABRA1GABRB2KDM4E
SCHEMBL30883 0.67 AOC3 (0.55) KDM4EALDH1A1
SCHEMBL9845643 0.66 CYP1A2 (0.39) KDM4EALDH1A1
SCHEMBL21596815 0.66 SLC2A1 (0.38) KDM4EALDH1A1METAP2
SCHEMBL13067439 0.64 MEN1 (0.49) KDM4EALDH1A1
SCHEMBL10890657 0.64 GABRA1 (0.46) GABRA1GABRB2
SCHEMBL11606142 0.63 ALOX5 (0.50)

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
EP-0395726-B1 REDUCTION OF CARBOXYL END GROUPS IN POLYESTER WITH LACTIM ETHERS AlliedSignal Inc. (US) 1992-07-15 EP disclosed
US-4839124-A Reduction of carboxyl end groups in polyester fibers with lactim ethers ALLIED-SIGNAL INC. (US) 1989-06-13 US disclosed