SCHEMBL19202243

SCHEMBL19202243

CNc1ccc(O)c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
ESR1 P03372 1/20 0.38
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
PIM1 P11309 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL17715571 0.77 HPGD (0.52) IDO1ADAMTS4ALDH1A1EGFRCA1
SCHEMBL19730526 0.74 SELL (0.38) IDO1ESR1SELLSELPALDH1A1
SCHEMBL27855609 0.74 IDO1 (0.41) IDO1ESR1ALDH1A1HPGDALOX15
SCHEMBL28720919 0.73 CA12 (0.45) IDO1SELLSELPALDH1A1CA1
Methyl Alcohol SCHEMBL28327220 0.73 ALDH1A1 (0.50) IDO1SELLSELPPIM1ADAMTS4
Ethane SCHEMBL27601092 0.73 ALDH1A1 (0.50) IDO1SELLSELPPIM1ADAMTS4
SCHEMBL29373601 0.72 ALDH1A1 (0.57) IDO1SELLSELPPIM1ADAMTS4
SCHEMBL338346 0.72 ALDH1A1 (0.57) IDO1SELLSELPPIM1ADAMTS4
SCHEMBL11138990 0.72 IDO1 (0.44) IDO1ADAMTS4ALDH1A1EGFRCA1
SCHEMBL19201819 0.72 IDO1 (0.46) IDO1ESR1ALDH1A1CA1CA2

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
WO-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed