SCHEMBL7678904

SCHEMBL7678904

O=C1CCCC(=O)C1c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.42
KDM4E B2RXH2 7/20 0.42
TSHR P16473 5/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 5/20 0.41
ALOX15 P16050 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.41
NR1I2 O75469 1/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR2 Q92731 1/20 0.38

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
SCHEMBL1321301 0.88 HSD17B10 (0.38) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL6652713 0.77 ALDH1A1 (0.40) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL3437947 0.76 TLR4 (0.40) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL7817207 0.73 HSD17B10 (0.65) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL2396347 0.72 ALDH1A1 (0.42) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL31462136 0.71 ALDH1A1 (0.44) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL3438533 0.69 MAPT (0.50) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL2760986 0.68 ALDH1A1 (0.46) HSD17B10KDM4ETSHRHPGDALDH1A1
SCHEMBL9024433 0.68 ALDH1A1 (0.42) HSD17B10KDM4EHPGDALDH1A1MEN1
SCHEMBL14559235 0.68 ALDH1A1 (0.42) HSD17B10KDM4EHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP disclosed
US-4863925-A SUBSTITUTED NIHON NOHYAKU CO., LTD. (JP) 1989-09-05 US disclosed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP disclosed