SCHEMBL7436878

SCHEMBL7436878

CC(=O)SCC(CC(C)C)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL10438773 0.85 MME (0.57) MMEACEALDH1A1NPC1RAB9A
SCHEMBL392082 0.85 ALDH1A1 (0.52) MMEACEALDH1A1NPC1MAPT
SCHEMBL7429627 0.83 MEN1 (0.49) MMEACELMNAKMT2AMEN1
SCHEMBL7426722 0.83 ALDH1A1 (0.54) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL7431904 0.82 NR1H4 (0.48) MMEACEALDH1A1NPC1MAPT
SCHEMBL7433065 0.81 LMNA (0.51) MMEACEALDH1A1NPC1MAPT
SCHEMBL7432902 0.81 ALDH1A1 (0.46) MMEACEALDH1A1SMN1; SMN2KMT2A
SCHEMBL7431217 0.80 KCNK3 (0.46) MMEACEALDH1A1NPC1MAPT
SCHEMBL7431630 0.80 LMNA (0.50) MMEACEALDH1A1NPC1MAPT
SCHEMBL7432011 0.80 ALDH1A1 (0.45) MMEACEALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0361365-A1 Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use E.R. SQUIBB & SONS, INC. (US) 1990-04-04 EP disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed