SCHEMBL9689158

SCHEMBL9689158

Cn1cnnc1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GFER P55789 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL23043675 0.76
SCHEMBL5174182 0.70 TLR8 (0.35) ALDH1A1ALOX15HSD17B10
SCHEMBL693477 0.70 FNTA (0.47) HDAC6L3MBTL1POLBMEN1KMT2A
SCHEMBL24350923 0.69 HTR1A (0.35) ALDH1A1ALOX15MAPTPOLBMEN1
SCHEMBL24821980 0.69 HTR1A (0.32) ALDH1A1ALOX15HSD17B10
Bromide SCHEMBL28813244 0.69 FNTA (0.46) HDAC6L3MBTL1POLBMEN1KMT2A
SCHEMBL28702022 0.68 HDAC6 (0.41) HDAC6ALDH1A1NPSR1
SCHEMBL11588269 0.67 HDAC6 (0.44) HDAC6ALDH1A1NPSR1PKML3MBTL1
SCHEMBL1768417 0.67 CYP11B1 (0.41) HDAC6ALDH1A1NPSR1EGLN3
SCHEMBL26912264 0.67 HSD17B10 (0.44) HDAC6HSD17B10NPSR1L3MBTL1MAPT

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-0329357-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-07-15 EP disclosed
EP-0329357-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1989-08-23 EP disclosed
US-4859686-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-08-22 US disclosed