SCHEMBL2064516

SCHEMBL2064516

Oc1cccc(-c2ccccc2)c1O.[Y]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 4/20 0.65
BCL2L1 Q07817 1/20 0.65
HDAC4 P56524 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HNF4A P41235 1/20 0.55
BACE1 P56817 3/20 0.54
LMNA P02545 3/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
EGFR P00533 2/20 0.50
CA2 P00918 2/20 0.50
FYN P06241 2/20 0.50
MMP9 P14780 2/20 0.50
RECQL P46063 2/20 0.50
ADAMTS4 O75173 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL94298 0.98 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
SCHEMBL29365218 0.98 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
SCHEMBL28750451 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Water SCHEMBL8773056 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Methane SCHEMBL2283545 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Biphenyl SCHEMBL25432905 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Hydrogen Sulfide SCHEMBL27783553 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Ammonia Solution, Strong SCHEMBL19405739 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Hydrochloric Acid SCHEMBL27565418 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4
Catechol SCHEMBL26968121 0.95 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10BCL2L1HDAC4

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-8148118-B2 Method of inducing chirality to epoxides using 2,3:4,6 di-O-isopropylidene-2-keto-L-gulonic acid monohydrate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-04-03 US disclosed
US-20100136635-A1 Method of Inducing Chirality to Epoxides Using 2,3:4,6 di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-06-03 US disclosed