SCHEMBL8713380

SCHEMBL8713380

C=C(C)Cc1c(C)c(NC(C)=O)c(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.30
PTPRB P23467 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6985671 0.79
SCHEMBL8719117 0.76 ALDH1A1 (0.40) ALDH1A1POLBHPGDPTPRBHSD17B10
SCHEMBL8713453 0.73 ALDH1A1 (0.38) ALDH1A1POLBHPGDHSD17B10MEN1
SCHEMBL8713044 0.72 CXCR2 (0.35) ALDH1A1POLBHPGDHSD17B10
SCHEMBL8714563 0.71 MAOB (0.33)
SCHEMBL13103938 0.71 ALDH1A1 (0.47) ALDH1A1HPGDPTPRBHSD17B10MEN1
SCHEMBL8598096 0.70 IMPDH2 (0.35) HSD17B10MEN1KMT2A
SCHEMBL8713482 0.70 NPC1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL8720040 0.69 ALDH1A1 (0.44) ALDH1A1POLBHPGDHSD17B10MEN1
SCHEMBL8718339 0.68 POLB (0.37) ALDH1A1POLBHPGDHSD17B10MEN1

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