SCHEMBL8417819

SCHEMBL8417819

C=CCOc1ccc(C(C)CC(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CYP2D6 P10635 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ACACB O00763 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3A P31941 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL27459752 0.83 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AMAPTTDP1
SCHEMBL9475969 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8421528 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL13573006 0.79 ALOX15 (0.55) MEN1KMT2ARAB9AMAPTTDP1
SCHEMBL16509661 0.79 ALOX15 (0.55) MEN1KMT2ARAB9AMAPTTDP1
SCHEMBL12430380 0.79 ALOX15 (0.55) MEN1KMT2ARAB9AMAPTTDP1
SCHEMBL13085153 0.79 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL12883164 0.79 ACHE (0.59) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL12883163 0.79 ACHE (0.59) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL21199753 0.79 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed