SCHEMBL13780435

SCHEMBL13780435

COC1=C/C(=C/C=C2/C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
ATM Q13315 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 3/20 0.36
HKDC1 Q2TB90 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CES1 P23141 1/20 0.33
MPI P34949 1/20 0.33

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
SCHEMBL18403093 0.87 ATM (0.41) TYRATMKMT2ANPC1GPR35
SCHEMBL13780434 0.87 ATM (0.41) TYRATMKMT2ANPC1GPR35
SCHEMBL15893572 0.87 ATM (0.41) TYRATMKMT2ANPC1GPR35
SCHEMBL17307988 0.85 ATM (0.41) TYRATMKMT2ANPC1GPR35
SCHEMBL13780438 0.83 TYR (0.64) TYRKMT2AMAPTHKDC1KDM4E
SCHEMBL12315144 0.81 ATM (0.41) TYRATMKMT2ANPC1GPR35
SCHEMBL13780428 0.81 TYR (0.62) TYRKMT2AMAPTHKDC1KDM4E
SCHEMBL13780447 0.81 TYR (0.68) TYRKMT2AMAPTHKDC1KDM4E
SCHEMBL15235937 0.75 ATM (0.46) TYRATMKMT2ANPC1GPR35
SCHEMBL13780457 0.75 ATM (0.33) ATMKMT2ANPC1GPR35MAPT

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
US-7560207-B2 Organic photoreceptor and electrophotographic image forming apparatus including the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-07-14 US disclosed
US-20080014519-A1 Organic photoreceptor and electrophotographic image forming apparatus including the photoreptor SAMSUNG ELECTRONICS CO., LTD. 2008-01-17 US disclosed