SCHEMBL8716052

SCHEMBL8716052

CC=C(C)Oc1cc(C)c(NC=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
PTPRB P23467 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL8712754 0.78 POLB (0.38)
SCHEMBL10500612 0.77 FFAR4 (0.47) HPGDTSHRRAPGEF4
SCHEMBL8716048 0.73 HPGD (0.48) HPGDPTPRBHSD17B10TSHR
SCHEMBL8716465 0.72 CYP3A4 (0.46) HPGDRAPGEF4
SCHEMBL2093540 0.72 RAPGEF4 (0.52) RAPGEF4
SCHEMBL8714301 0.70
SCHEMBL25732294 0.69 S1PR4 (0.35) RAPGEF4
SCHEMBL20194454 0.69 CA1 (0.47) TSHR
SCHEMBL16520251 0.69 HMGB1 (0.38) RAPGEF4
SCHEMBL7531476 0.69 ALDH1A1 (0.39) HPGDRAPGEF4

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