SCHEMBL8922166

SCHEMBL8922166

COC(C(=O)O)=C(C)C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GLA P06280 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLIN1 O60240 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL8037377 0.79 GLA (0.56) ALDH1A1GLATDP1MAPTHDAC3
SCHEMBL3127156 0.78 TDP1 (0.64) ALDH1A1GLATDP1MAPTHDAC3
SCHEMBL10620508 0.78 TDP1 (0.64) ALDH1A1GLATDP1MAPTHDAC3
SCHEMBL221211 0.78 TDP1 (0.64) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL28251050 0.77 CA12 (0.65) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL28251051 0.77 CA12 (0.65) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL901224 0.76 CA12 (0.69) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL2425288 0.76 CA12 (0.69) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL101530 0.76 CA12 (0.69) ALDH1A1GLATDP1MAPTHDAC3
E-Methyl Cinnamate SCHEMBL112062 0.76 CA12 (0.69) ALDH1A1GLATDP1MAPTHDAC3

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-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed