SCHEMBL28657128

SCHEMBL28657128

N=C(Oc1ccccc1)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.60
HSD17B10 Q99714 6/20 0.60
ALOX15 P16050 3/20 0.60
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA1 P00915 1/20 0.45
HMGB1 P09429 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
PNLIP P16233 1/20 0.41
LMNA P02545 5/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 5/20 0.39

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
SCHEMBL13900892 0.79 MAPT (0.46) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL2519840 0.75 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL3074703 0.75 HPGD (0.60) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL24326 0.75 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL29625250 0.75 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL3380130 0.74 LMNA (0.57) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL14151784 0.73 HPGD (0.96) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL21192457 0.73 HPGD (0.96) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL21519783 0.73 HPGD (0.96) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL28877775 0.73 HPGD (0.96) HPGDHSD17B10ALOX15KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646317-A Metal complexes 默克专利有限公司 2021-11-12 CN disclosed