SCHEMBL7546616

SCHEMBL7546616

COC(=O)c1ccccc1CCCCF

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 3/20 0.62
DHODH Q02127 1/20 0.51
TSHR P16473 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CFTR P13569 1/20 0.46
HIF1A Q16665 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL28280178 0.87 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL28106654 0.85 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL5734169 0.85 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL3554041 0.85 ALDH1A1 (0.64) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL10360804 0.84 ALDH1A1 (0.77) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL3553354 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL29148965 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL11552750 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRKMT2A
SCHEMBL2655008 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10
SCHEMBL5253878 0.84 ALDH1A1 (0.62) ALDH1A1LMNADHODHTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208175-A1 MIXTURES OF $g(b)-HYDROXYALKYL AMIDES AND THEIR USE AS CROSS-LINKING AGENTS FOR THE PREPARATION OF POWDER PAINTS Sir Industriale S.p.A. (IT) 2002-05-29 EP disclosed
WO-2000055266-A1 MIXTURES OF β-HYDROXYALKYL AMIDES AND THEIR USE AS CROSS-LINKING AGENTS FOR THE PREPARATION OF POWDER PAINTS SIR INDUSTRIALE S.P.A. (IT) 2000-09-21 WO disclosed