SCHEMBL8918772

SCHEMBL8918772

CCOC(=O)CC(C)c1ccc(C#CC2C(O)C3CCN2CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ACACB O00763 10/20 0.37
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP14 P54578 2/20 0.36
FDFT1 P37268 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8418559 0.84 ATM (0.44) ALDH1A1HPGDTSHRSMN1; SMN2FDFT1
SCHEMBL8919982 0.81 MMP13 (0.46) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8705669 0.76 ACACB (0.39) ALDH1A1ACACBKMT2A
SCHEMBL8921229 0.73 ATM (0.43) ALDH1A1ACACBNPC1HPGDTSHR
SCHEMBL8421972 0.72 ACACB (0.38) ACACB
SCHEMBL8772580 0.71 FDFT1 (0.71) FDFT1
SCHEMBL21274649 0.70 HTT (0.49) ALDH1A1FFAR1TSHRRAB9AUSP14
SCHEMBL21199753 0.68 ALDH1A1 (0.50) ALDH1A1NPC1HPGDTSHRRAB9A
SCHEMBL12883164 0.68 ACHE (0.59) ALDH1A1FFAR1TSHRKDM4EMEN1
SCHEMBL12883163 0.68 ACHE (0.59) ALDH1A1FFAR1TSHRKDM4EMEN1

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed