SCHEMBL11684339

SCHEMBL11684339

CCCCCOC(=O)/C=C\C(=O)OCCCC

nearest known ligand 0.91

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.91
HCAR2 Q8TDS4 4/20 0.81
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 1/20 0.54
NAAA Q02083 1/20 0.54
APP P05067 5/20 0.53
EPHX1 P07099 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL11684344 1.00 ATM (0.91) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL10711549 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL11681081 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL357073 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8416249 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL357074 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL11138767 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9580153 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9580161 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL11681075 0.98 ATM (0.87) ATMHCAR2MAPTRAB9ANPSR1

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-4033983-A TERTELOMERS OF VINYL CHLORIDE, DIALKYL MALEATE, BIS(2-CHLOROETHYL)VINYL PHOSPHONATE CONTINENTAL OIL COMPANY (US) 1977-07-05 US disclosed