SCHEMBL8712853

SCHEMBL8712853

C=C(C)COc1cc(C)c(NC(C)=O)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
PTPRB P23467 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR174 Q9BXC1 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL8712749 0.81 NPSR1 (0.39) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL8713940 0.78 RAB9A (0.40) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL6602208 0.76 POLB (0.54) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL8715887 0.75 ALDH1A1 (0.47) HSD17B10HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8712856 0.74 ALDH1A1 (0.42) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL660004 0.73 TP53 (0.48) HSD17B10HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13059571 0.71 ALDH1A1 (0.51) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL18622118 0.71 ALDH1A1 (0.50) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1
SCHEMBL3208638 0.71 CYP19A1 (0.47) HSD17B10SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL1304927 0.70 ALDH1A1 (0.43) HSD17B10HPGDPTPRBSMN1; SMN2ALDH1A1

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