SCHEMBL8952013

SCHEMBL8952013

CC(C(=O)O)=C(C=Cc1ccccc1)CCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.46
HAO1 Q9UJM8 1/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
PLIN1 O60240 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46

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
SCHEMBL4637965 0.92 GLA (0.53) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL393959 0.89 HDAC3 (0.50) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL14351392 0.88 EGFR (0.52) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL14351441 0.87 EGFR (0.55) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL1628461 0.87 EGFR (0.55) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL7107531 0.87 EGFR (0.55) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL10905188 0.87 EGFR (0.55) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL3849861 0.87 EGFR (0.55) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL14351521 0.86 GLA (0.53) GLATDP1ALDH1A1HAO1HDAC3
SCHEMBL5573242 0.84 ALDH1A1 (0.63) GLATDP1ALDH1A1HAO1HDAC3

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
EP-0683727-A4 THERMOPLASTIC OLEFINIC COMPOSITIONS. D & S PLASTICS INT (US) 1996-02-07 EP disclosed
EP-0683727-A1 THERMOPLASTIC OLEFINIC COMPOSITIONS D&S PLASTICS INTERNATIONAL (US) 1995-11-29 EP disclosed
WO-1994018001-A1 THERMOPLASTIC OLEFINIC COMPOSITIONS D&S PLASTICS INTERNATIONAL (US) 1994-08-18 WO disclosed