SCHEMBL7954993

SCHEMBL7954993

CCCCCOc1ccccc1COC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 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
SCHEMBL7956489 0.98 MAPT (0.50) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL7954895 0.95 CYP1A2 (0.55) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL7954389 0.89 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL7954989 0.84 CYP1A2 (0.47) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL7956488 0.83 MAPT (0.49) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL8523169 0.81 LTB4R (0.55) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL9992785 0.81 L3MBTL1 (0.65) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL17961069 0.81 PPARD (0.55) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL16933728 0.81 L3MBTL1 (0.65) L3MBTL1MAPTHPGDATMCYP1A2
SCHEMBL16933764 0.81 L3MBTL1 (0.65) L3MBTL1MAPTHPGDATMCYP1A2

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-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed