SCHEMBL13780431

SCHEMBL13780431

CCC1=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 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 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
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL13780434 0.87 ATM (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL18403093 0.87 ATM (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL15893572 0.87 ATM (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL17307988 0.85 ATM (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL13780441 0.83 PTGS1 (0.32)
SCHEMBL12315144 0.81 ATM (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL13780437 0.81 PTGS1 (0.31)
SCHEMBL15235937 0.75 ATM (0.46) ATMALDH1A1MAPTCES2PKM
SCHEMBL13780457 0.75 ATM (0.33) ATMALDH1A1MAPTCES2PKM
SCHEMBL13780435 0.75 TYR (0.50) ATMALDH1A1MAPTCES2PKM

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