SCHEMBL8718339

SCHEMBL8718339

C=C(C)Cc1cc(NC(C)=O)c(C)c(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APOBEC3A P31941 1/20 0.33
GFER P55789 1/20 0.33
HDAC1 Q13547 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PHPT1 Q9NRX4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL6030955 0.80 KDM5A (0.33)
SCHEMBL8713453 0.77 ALDH1A1 (0.38) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL1721102 0.74 CA1 (0.30)
SCHEMBL3914119 0.68 LMNA (0.56) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL9217050 0.68 AMY1A (0.44) POLBMAPTALDH1A1TSHRLMNA
SCHEMBL8713380 0.68 ALDH1A1 (0.33) POLBALDH1A1HPGDHSD17B10MEN1
SCHEMBL30780902 0.67 POLB (0.53) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL10620933 0.65 ALDH1A1 (0.58) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL8719117 0.65 ALDH1A1 (0.40) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL28485570 0.64 LMNA (0.56) POLBNPC1MAPTRAB9AALDH1A1

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