SCHEMBL6744815

SCHEMBL6744815

CCCNc1ccc(C=O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
TRIM24 O15164 2/20 0.45
TRIM33 Q9UPN9 2/20 0.45
EGFR P00533 1/20 0.42
ERN1 O75460 1/20 0.40
APP P05067 1/20 0.40
IDO1 P14902 1/20 0.39
PNLIP P16233 1/20 0.39
AR P10275 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL11387476 0.89 ABL1 (0.46) TYRTRIM24TRIM33EGFRAPP
SCHEMBL7065485 0.88 ABL1 (0.48) TYRTRIM24TRIM33EGFRPNLIP
SCHEMBL11333958 0.86 TYR (0.47) TYRTRIM24TRIM33EGFRERN1
SCHEMBL28626908 0.83 TYR (0.41) TYRTRIM24TRIM33EGFRIDO1
SCHEMBL11823173 0.83 TYR (0.41) TYRTRIM24TRIM33EGFRALDH1A1
SCHEMBL11819199 0.83 EGFR (0.50) TYRTRIM24TRIM33EGFRERN1
SCHEMBL11823874 0.81 TYR (0.42) TYRTRIM24TRIM33EGFRERN1
SCHEMBL27262970 0.81 TYR (0.42) TYRTRIM24TRIM33EGFRIDO1
SCHEMBL11821161 0.80 TYR (0.50) TYRTRIM24TRIM33EGFRERN1
SCHEMBL11822443 0.80 HTT (0.50) TYRTRIM24TRIM33EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689733-B1 ENHANCING ACTION OF PEROXY COMPOUNDS; WASHING, CLEANING, DISINFECTING CIBA SPECIALTY CHEMICALS CORPORATION 2004-02-10 US disclosed
EP-1159259-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
WO-2000053574-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed