SCHEMBL7126411

SCHEMBL7126411

CCCC(CCC)OC(=O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.47
S1PR5 Q9H228 1/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER1 P34995 1/20 0.45
BRD4 O60885 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
ERN1 O75460 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EGFR P00533 2/20 0.42
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 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
SCHEMBL7169198 0.84 ALDH1A1 (0.51) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL7169194 0.84 ALDH1A1 (0.51) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL8512033 0.80 SLC6A2 (0.57) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL4747320 0.79 MAOB (0.59) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL229472 0.78 MRGPRX4 (0.69) MRGPRX4S1PR5HPGDRAB9APTGER1
SCHEMBL7127765 0.78 MAPT (0.52) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL7127771 0.78 MAPT (0.52) MRGPRX4S1PR5HPGDNPC1RAB9A
SCHEMBL8883324 0.77 RXRA (0.43) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7128516 0.77 MAOB (0.51) MRGPRX4FFAR1PPARD
SCHEMBL31031135 0.76 MRGPRX4 (0.56) MRGPRX4S1PR5HPGDNPC1RAB9A

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