SCHEMBL14645922

SCHEMBL14645922

NCC(=O)c1cccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
TERT O14746 2/20 0.50
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA6 P23280 2/20 0.44
MMP2 P08253 2/20 0.44
ADAMTS4 O75173 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
FYN P06241 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
MMP8 P22894 1/20 0.44
CDK2 P24941 1/20 0.44
MMP12 P39900 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL4014026 0.83 KDM4E (0.58) ALDH1A1HPGDHSD17B10TDP1CA1
SCHEMBL7529979 0.82 HMGB1 (0.58) ALDH1A1HPGDHSD17B10CA1CA2
SCHEMBL1878649 0.81 TERT (0.52) ALOX5TERTALDH1A1HPGDHSD17B10
Bromide SCHEMBL29112486 0.81 KDM4E (0.56) ALDH1A1HPGDHSD17B10TDP1CA1
SCHEMBL2788116 0.79 ALOX5 (0.55) ALOX5TERTALDH1A1HPGDHSD17B10
SCHEMBL17530309 0.79 TERT (0.50) ALOX5TERTALDH1A1HPGDHSD17B10
SCHEMBL1606580 0.79 HSP90AB1 (0.55) ALOX5TERTALDH1A1HPGDHSD17B10
2,3-Dihydroxybenzoic Acid SCHEMBL29155442 0.78 HMGB1 (0.62) ALOX5TERTALDH1A1HPGDHSD17B10
SCHEMBL27533876 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TDP1CA1
SCHEMBL32018464 0.77 TERT (0.61) ALOX5TERTALDH1A1HPGDHSD17B10

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
WO-2023102567-A2 GRAFTABLE BIOCIDAL LINKERS AND POLYMERS AND USES THEREOF DEBOGY MOLECULAR, INC. (US) 2023-06-08 WO disclosed
WO-2013008247-A1 PROCESS FOR PREPARATION OF (DL) -NOREPINEPHRINE ACID ADDITION SALT, A KEY INTERMEDIATE OF (R) - (-) - NOREPINEPHRINE NEON LABORATORIES LTD. (IN) 2013-01-17 WO disclosed