SCHEMBL12001995

SCHEMBL12001995

CCCC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 4/20 0.58
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PTPN1 P18031 2/20 0.46
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL28114650 0.86 ATM (0.66) ATML3MBTL1NPSR1POLBHTT
SCHEMBL2581702 0.86 ATM (0.66) ATML3MBTL1NPSR1POLBHTT
SCHEMBL12158645 0.86 ATM (0.66) ATML3MBTL1NPSR1POLBHTT
SCHEMBL9066674 0.85 ATM (0.74) ATML3MBTL1NPSR1POLBHTT
SCHEMBL28529442 0.84 ATM (0.59) ATML3MBTL1NPSR1POLBHTT
SCHEMBL28642990 0.84 GABBR2 (0.47) ATMNPSR1POLBMAPTSMN1; SMN2
SCHEMBL2292396 0.84 GABBR2 (0.61) POLBKMT2AMEN1TSHRMAPT
SCHEMBL28346014 0.84 GABBR2 (0.61) POLBKMT2AMEN1TSHRMAPT
SCHEMBL8087232 0.81 ATM (0.56) ATML3MBTL1NPSR1POLBHTT
SCHEMBL8431654 0.81 L3MBTL1 (0.74) ATML3MBTL1NPSR1POLBHTT

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-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
CN-1108240-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1995-09-13 CN disclosed