SCHEMBL6502555

SCHEMBL6502555

CCCC(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
CES2 O00748 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL31036179 0.92 HSD17B10 (0.60) MAPTHDAC1HDAC8HSD17B10TRPV1
SCHEMBL13652571 0.88 MTNR1A (0.62) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6169205 0.86 HPGD (0.63) HPGDKDM4EPOLBGAAHDAC1
SCHEMBL9490321 0.85 MTNR1A (0.60) MAPTKDM4EHSD17B10
SCHEMBL30444962 0.83 HDAC1 (0.61) MAPTHDAC1HDAC8HSD17B10TRPV1
SCHEMBL1984009 0.83 MAPT (0.56) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL4857939 0.83 MAPT (0.56) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL761158 0.81 KDM4E (0.61) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL1690856 0.81 HPGD (0.71) HPGDALDH1A1HDAC1HDAC8
SCHEMBL9002952 0.81 HPGD (0.65) HPGDALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946468-B1 3-mercaptopyrrolidines as farnesyl protein transferase inhibitors ZENECA LIMITED (GB) 2005-09-20 US disclosed