SCHEMBL3376720

SCHEMBL3376720

Cc1cc(O)c(O)c(CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
APEX1 P27695 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL10809043 0.91 ALDH1A1 (0.46) HSD17B10CYP2C9ALOX15ALDH1A1POLB
SCHEMBL5265431 0.82 EGFR (0.43) HSD17B10ALOX15ALDH1A1TDP1KDM4E
SCHEMBL10360605 0.81 EGFR (0.44) HSD17B10ALOX15ALDH1A1TDP1KDM4E
SCHEMBL12749593 0.81 TDP1 (0.38) HSD17B10CYP2C9ALOX15ALDH1A1TDP1
SCHEMBL3374937 0.80 ALOX15 (0.41) HSD17B10CYP2C9ALOX15ALDH1A1POLB
SCHEMBL30371189 0.79 ALDH1A1 (0.54) SELLSELPHSD17B10CYP2C9ALOX15
SCHEMBL3371904 0.79 HSD17B10 (0.42) HSD17B10CYP2C9ALOX15ALDH1A1TDP1
SCHEMBL3371928 0.79 ALDH1A1 (0.54) SELLSELPHSD17B10CYP2C9ALOX15
SCHEMBL3376374 0.79 POLB (0.50) HSD17B10CYP2C9POLBTDP1KDM4E
SCHEMBL3372548 0.78 HSD17B10 (0.36) HSD17B10CYP2C9ALOX15ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010079409-A2 USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS ECOLAB INC. (US) 2010-07-15 WO disclosed
US-7645731-B1 Use of aminocarboxylate functionalized catechols for cleaning applications ECOLAB INC. (US) 2010-01-12 US disclosed
WO-2009123978-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-10-08 WO disclosed