SCHEMBL10639892

SCHEMBL10639892

C[C@H](CC(=O)Cl)n1cccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10636638 1.00 MAPT (0.37) MAPTRAB9AHSD17B10KDM4EPOLB
SCHEMBL10639927 0.80 HSD17B10 (0.44) MAPTRAB9AHSD17B10KDM4EPOLB
SCHEMBL10639925 0.80 HSD17B10 (0.44) MAPTRAB9AHSD17B10KDM4EPOLB
SCHEMBL6019014 0.80 HSD17B10 (0.44) MAPTRAB9AHSD17B10KDM4EPOLB
Hydrochloric Acid SCHEMBL10636650 0.78 HSD17B10 (0.43) MAPTRAB9AHSD17B10KDM4EPOLB
Hydrochloric Acid SCHEMBL10639897 0.78 HSD17B10 (0.43) MAPTRAB9AHSD17B10KDM4EPOLB
SCHEMBL536125 0.71
SCHEMBL14851716 0.69
SCHEMBL14963076 0.68 CYP1A2 (0.50) HSD17B10KDM4EPOLBSMN1; SMN2TDP1
SCHEMBL9076943 0.66 TDP1 (0.56) HSD17B10KDM4EPOLBTDP1KMT2A

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-4794109-A 6-hydroxy-lower alkylpenem compounds, pharmaceutical preparations that contain these compounds, and the use of the latter CIBA-GEIGY CORPORATION (US) 1988-12-27 US disclosed