SCHEMBL8628971

SCHEMBL8628971

CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
RGS12 O14924 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LCK P06239 1/20 0.67
MAPT P10636 1/20 0.67
CAMKK2 Q96RR4 1/20 0.67
NOX4 Q9NPH5 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65

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
SCHEMBL29607886 0.88 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
Lavendustin C SCHEMBL30569227 0.81 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
Lavendustin C SCHEMBL1821516 0.81 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL29457603 0.80 CA12 (1.00) EGFRCA12CA1CA2CA7
SCHEMBL39259 0.80 CA12 (1.00) EGFRCA12CA1CA2CA7
SCHEMBL17240955 0.79 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL413095 0.79 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL14400343 0.77 EGFR (0.62) EGFRALDH1A1NOX4CA12CA1
SCHEMBL1705430 0.76 EGFR (0.75) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL10172851 0.76 EGFR (0.72) EGFRRGS12ALDH1A1LCKMAPT

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
EP-0850055-A2 PROTEIN TYROSINE KINASE INHIBITORS FOR TREATING OSTEOARTHRITIS Osteoarthritis Sciences, Inc. (US) 1998-07-01 EP disclosed
WO-1997011692-A2 PROTEIN TYROSINE KINASE INHIBITORS FOR TREATING OSTEOARTHRITIS OSTEOARTHRITIS SCIENCES, INC. (US) 1997-04-03 WO disclosed