SCHEMBL7967385

SCHEMBL7967385

Cc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)COC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.51
FABP3 P05413 3/20 0.51
DHODH Q02127 7/20 0.41
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
FABP5 Q01469 3/20 0.38
CYP3A4 P08684 2/20 0.38
AHR P35869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7978016 0.87 PLA2G2A (0.47) KDM4EPOLBMAPTNPC1RAB9A
SCHEMBL7984061 0.84 CACNB4 (0.42) FABP4FABP3KDM4EMAPTNPSR1
SCHEMBL8802957 0.83 ESRRB (0.38) ESRRBESRRAKDM4EPOLBMAPT
SCHEMBL8801316 0.78 IMPDH2 (0.40) ESRRBESRRAKDM4EMAPTNPC1
SCHEMBL7983845 0.69 LMNA (0.50) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL7979243 0.69 CACNB4 (0.38) MAPTNPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL21083000 0.68 FABP4 (1.00) FABP4FABP3DHODHKDM4EMAPT
SCHEMBL8803269 0.67 LMNA (0.39) FABP4FABP3KDM4EPOLBMAPT
SCHEMBL8801276 0.66 KMT2A (0.41) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL4506174 0.66 TP53 (0.55) FABP4FABP3KDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US disclosed