SCHEMBL8413465

SCHEMBL8413465

CC=CCc1cc(N)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
ACHE P22303 3/20 0.55
PDE10A Q9Y233 1/20 0.47
CASP1 P29466 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
HSPD1 P10809 1/20 0.38

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
SCHEMBL7516311 0.84 PRKCI (0.52) PRKCIACHEPDE10ACASP1CA1
SCHEMBL9742172 0.84 EGFR (0.43) PRKCIACHEGABRA1GABRB2HTT
SCHEMBL9742175 0.84 EGFR (0.43) PRKCIACHEGABRA1GABRB2HTT
SCHEMBL14283741 0.84 EGFR (0.43) PRKCIACHEGABRA1GABRB2HTT
SCHEMBL10907779 0.78 HTT (0.62) PRKCIACHEPDE10AHTTALDH1A1
SCHEMBL8442677 0.78 KLF10 (0.61) TSHRGABRA1GABRB2HTTALDH1A1
SCHEMBL3819967 0.78 GABRA1 (0.68) PRKCIACHEPDE10ACA1CA2
SCHEMBL6029792 0.78 PRKCI (0.53) PRKCIACHEPDE10ACASP1CA1
SCHEMBL29939053 0.78 PRKCI (0.53) PRKCIACHEPDE10ACASP1CA1
SCHEMBL440146 0.77 PRKCI (0.68) PRKCIACHEPDE10ACASP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866611-A PHENOXYPROPYLAMINE INHIBITORS OF SQUALENE SYNTHESE, USEFUL IN TREATING DISEASES IN WHICH A LOWERING OF CHOLESTEROL IS DESIRABLE. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0589018-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1994-03-30 EP disclosed
WO-1993020807-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1993-10-28 WO disclosed