SCHEMBL9578317

SCHEMBL9578317

Oc1c(Cl)cc(Cl)cc1C(O)C#Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ACLY P53396 1/20 0.36
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
IDO1 P14902 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GAA P10253 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL2685247 0.77 APP (0.39) MAPTLMNAAKR1C2AKR1C1ALDH1A1
SCHEMBL22300264 0.72 GABRA1 (0.42) MAPTLMNAALDH1A1HTTCYP3A4
SCHEMBL9578277 0.71 ALDH1A1 (0.38) MAPTLMNAALDH1A1HTTCYP3A4
SCHEMBL9578385 0.71 LMNA (0.48) MAPTLMNAAKR1C2AKR1C1ALDH1A1
SCHEMBL2683928 0.70 CACNA2D1 (0.40) MAPTALDH1A1HTTTSHRIDO1
SCHEMBL2684286 0.70 ACP3 (0.45) MAPTLMNAALDH1A1HTTTSHR
SCHEMBL6721147 0.69 AKR1C2 (0.71) MAPTLMNAAKR1C2AKR1C1ALDH1A1
SCHEMBL9667703 0.67 APP (0.39) MAPTLMNAALDH1A1HTTCYP3A4
SCHEMBL2686082 0.67 IDO1 (0.44) LMNAALDH1A1CYP3A4IDO1GAA
SCHEMBL9670146 0.67 CES2 (0.40) MAPTLMNAALDH1A1CYP3A4HSD17B10

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-0401517-B1 Substituted 2-alkynylphenols with anti-inflammatory action, a process for their preparation and pharmaceutical compositions thereof CORVI CAMILLO SPA (IT) 1993-11-03 EP disclosed
EP-0401517-A1 Substituted 2-alkynylphenols with anti-inflammatory action, a process for their preparation and pharmaceutical compositions thereof CAMILLO CORVI S.p.A. (IT) 1990-12-12 EP disclosed