SCHEMBL7127771

SCHEMBL7127771

CCC(C)COC(=O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MRGPRX4 Q96LA9 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
PTGER1 P34995 1/20 0.44
BRD4 O60885 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ACHE P22303 1/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL7127765 1.00 MAPT (0.52) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL8512033 0.84 SLC6A2 (0.57) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL9710281 0.81 MAPT (0.53) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL7169198 0.78 ALDH1A1 (0.51) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL7169194 0.78 ALDH1A1 (0.51) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL7126411 0.78 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9484001 0.78 MAPT (0.59) MAPTSMN1; SMN2RAB9AADRB2ADRB1
SCHEMBL9456235 0.78 MAPT (0.59) MAPTSMN1; SMN2RAB9AADRB2ADRB1
SCHEMBL6937628 0.78 MAPT (0.59) MAPTSMN1; SMN2RAB9AADRB2ADRB1
SCHEMBL4747320 0.78 MAOB (0.59) MAPTMRGPRX4SMN1; SMN2NPC1RAB9A

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-6666989-B1 Electrical and electro-optic apparatus comprising spaced glass panels having polyethers and electrodes on the interior surfaces, used as detectors, screens and in nonlinear optical apparatus QINETIQ LIMITED (GB) 2003-12-23 US disclosed