SCHEMBL8045618

SCHEMBL8045618

CCCC(=O)C(=O)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
GLA P06280 1/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PLIN1 O60240 2/20 0.52
LMNA P02545 2/20 0.52
RECQL P46063 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
F3 P13726 2/20 0.52
TNKS O95271 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52

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
SCHEMBL27887485 0.88 EGFR (0.56) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL27970225 0.87 EGFR (0.58) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL7659599 0.85 GLA (0.57) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL574953 0.81 ALDH1A1 (0.70) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL574952 0.81 ALDH1A1 (0.70) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL907461 0.79 HDAC3 (0.44) TDP1GLANPC1L3MBTL1HDAC3
Cinnamic Acid SCHEMBL29010571 0.79 HDAC3 (0.68) TDP1GLANPC1L3MBTL1HDAC3
Butyric Acid SCHEMBL30510740 0.79 ALDH1A1 (0.68) TDP1GLANPC1L3MBTL1HDAC3
SCHEMBL29109648 0.78 IAPP (0.45) MAPTALDH1A1LMNASMN1; SMN2CES2
SCHEMBL2153308 0.78 MAPT (0.73) TDP1GLANPC1L3MBTL1HDAC3

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
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP disclosed