SCHEMBL7939741

SCHEMBL7939741

CCc1c(C(C)(C)c2ccccc2)ccc(O)c1-n1nc2ccccc2n1.O=C1c2cccc3c2C(=O)N13

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.38
DPP4 P27487 2/20 0.38
TYMS P04818 1/20 0.36
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
NR1H3 Q13133 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6744460 0.84 DPP4 (0.43) ANPEPDPP4TYMSNR1H3LMNA
SCHEMBL31361784 0.71 NPC1 (0.34) ANPEPDPP4TYMSNR1H3LMNA
SCHEMBL29973875 0.70 NPC1 (0.39) LMNA
SCHEMBL28507848 0.69 KDM4E (0.41) LMNA
SCHEMBL29265211 0.68 NPC1 (0.34) LMNA
SCHEMBL21245442 0.66 ESR1 (0.40) LMNA
SCHEMBL29904482 0.65 NPC1 (0.41) CA2LMNA
SCHEMBL20272359 0.65 NPC1 (0.41) CA2LMNA
SCHEMBL26383710 0.63 ESR1 (0.40) LMNA
SCHEMBL29201450 0.63 PPARG (0.40) LMNA

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-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed