SCHEMBL8419865

SCHEMBL8419865

O=C(Oc1ccccc1)c1ccccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CHRNA7 P36544 2/20 0.33
HTR3A P46098 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TSHR P16473 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32

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
SCHEMBL8419832 0.81 GABRA1 (0.31) MRGPRX1
SCHEMBL8419750 0.81 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2TSHRMRGPRX1
SCHEMBL8421878 0.71 CHRNA7 (0.36) CHRNA7SCN1ASCN2ASCN3A
SCHEMBL8419827 0.68 CYP2D6 (0.31) MAPTMRGPRX1CYP3A4
SCHEMBL8970015 0.67 MMP13 (0.52)
SCHEMBL733385 0.67 HSD17B10 (0.59) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL4357259 0.66 HSD17B10 (0.58) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL1255394 0.66 HSD17B10 (0.58) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL8923497 0.64 CNR1 (0.32) HPGDALOX15KDM4EALDH1A1KMT2A
SCHEMBL29437924 0.64 HSD17B10 (0.76) HSD17B10HPGDALOX15MAPTKDM4E

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed