SCHEMBL11334985

SCHEMBL11334985

CSCCC(N)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ CTSC P53634 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ ALPL P05186 1/20 0.48
▸ MARS1 P56192 1/20 0.47
▸ SLC7A5 Q01650 2/20 0.47
▸ GLI1 P08151 1/20 0.47
▸ GLI2 P10070 1/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL11334981 1.00 HSD17B10 (0.55) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL3927180 0.82 HDAC8 (0.57) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL3927183 0.82 HDAC8 (0.57) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL27550844 0.82 DRD1 (0.65) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL11339783 0.82 DRD1 (0.65) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL7313613 0.82 CTSC (0.62) CTSCKCNH2KMT2ACA1CYP2D6
SCHEMBL24277516 0.81 HDAC8 (0.61) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL29520758 0.81 HDAC8 (0.61) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL15399610 0.81 HDAC8 (0.61) HSD17B10MAPTHIF1AKDM4ELMNA
SCHEMBL24277517 0.81 HDAC8 (0.61) HSD17B10MAPTHIF1AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007441-B1 N - (N-ACETYL-L-METHIONYL) - 3,4 -DIETHOXY-CARBONYLOXY-PHENETHYLAMINE, PROCESS FOR PREPARING SAME AND A PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND. Tanabe Seiyaku Co., Ltd. (JP) 1981-11-25 — — EP disclosed
US-4228183-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1980-10-14 — — US disclosed
EP-0007441-A1 N - (N-Acetyl-L-methionyl) - 3,4 -diethoxy-carbonyloxy-phenethylamine, process for preparing same and a pharmaceutical composition containing said compound. Tanabe Seiyaku Co., Ltd. (JP) 1980-02-06 — — EP disclosed
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