SCHEMBL28201447

SCHEMBL28201447

CCc1ccc(Cc2ccc(=O)[nH]c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.38
MGLL Q99685 2/20 0.37
PLK1 P53350 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
SOD1 P00441 1/20 0.37
EGFR P00533 1/20 0.36
HCAR1 Q9BXC0 2/20 0.36
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NOTUM Q6P988 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL313756 0.87
SCHEMBL4584905 0.80 DAO (0.45) ALDH1A1DAOGPR84
SCHEMBL17241252 0.80 ALDH1A1 (0.39) ALDH1A1DAOCA2SMN1; SMN2
SCHEMBL17241205 0.80 ALDH1A1 (0.43) ALDH1A1DAOMGLLSMN1; SMN2
SCHEMBL12844536 0.75 GPR84 (0.42) ALDH1A1MGLLPLK1GPR84CA2
SCHEMBL2491352 0.75 TP53 (0.56) ALDH1A1PLK1CA2SMN1; SMN2
SCHEMBL178440 0.73 LOXL2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL18617535 0.72 PLK1 (0.50) ALDH1A1PLK1
SCHEMBL3173022 0.71 SAE1 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL28201452 0.71 SMN1; SMN2 (0.38) ALDH1A1PLK1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed
CN-103214471-A Novel compound MITSUBISHI TANABE PHARMA CORP 2013-07-24 CN disclosed
CN-1829729-A Novel compounds TANABE SEIYAKU CO (JP) 2006-09-06 CN disclosed