SCHEMBL8713482

SCHEMBL8713482

C=C(C)Cc1c(C)c(Nc2ccc(Cl)cc2)c(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
AGPAT2 O15120 1/20 0.31
IMPDH2 P12268 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
KDM1A O60341 1/20 0.30
TP53 P04637 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
SCHEMBL8713044 0.86 CXCR2 (0.35) MAPTALDH1A1KDM4EHTT
SCHEMBL8720040 0.85 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8713380 0.70 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL6985671 0.69
SCHEMBL660474 0.63 IMPDH2 (0.31) IMPDH2
SCHEMBL27912775 0.63 AGPAT2 (0.42) NPC1RAB9AAGPAT2SMN1; SMN2MAPT
SCHEMBL8714563 0.62 MAOB (0.33) MAOB
SCHEMBL10463838 0.62 KMT2A (0.44) NPC1RAB9AAGPAT2SMN1; SMN2MAPT
SCHEMBL9782634 0.62 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL21175921 0.61 CYP1A2 (0.32) NPC1SMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed