SCHEMBL7384272

SCHEMBL7384272

CCC[C@@H](O)[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
REN P00797 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
METAP2 P50579 1/20 0.39
LTA4H P09960 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL27237563 0.86 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2CTSLCTSB
SCHEMBL7419744 0.86 LTA4H (0.38) ALDH1A1KMT2ARENMETAP2LTA4H
SCHEMBL13875765 0.81 CA2 (0.40) ALDH1A1KMT2ARENCTSLCTSB
SCHEMBL4175026 0.81 CA2 (0.40) ALDH1A1KMT2ARENCTSLCTSB
SCHEMBL13501676 0.81 CA2 (0.40) ALDH1A1KMT2ARENCTSLCTSB
SCHEMBL4180381 0.81 CA2 (0.40) ALDH1A1KMT2ARENCTSLCTSB
SCHEMBL4180378 0.81 CA2 (0.40) ALDH1A1KMT2ARENCTSLCTSB
SCHEMBL4196007 0.80 SLC1A3 (0.36) METAP2LTA4HCPB2
SCHEMBL4196009 0.80 SLC1A3 (0.36) METAP2LTA4HCPB2
SCHEMBL19690672 0.80 SLC1A3 (0.43) LTA4H

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-6191150-B1 METALLOPROTEASE INHIBITOR GLAXO WELLCOME INC. 2001-02-20 US disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-2000012466-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed