SCHEMBL8028786

SCHEMBL8028786

CC(=O)/C(=C\c1ccc(C#N)cc1)C(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
FBP1 P09467 3/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 1/20 0.38
HDAC2 Q92769 2/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL8028788 1.00 KMT2A (0.47) KMT2AMAPTMEN1FBP1ALDH1A1
SCHEMBL8040495 0.91 KMT2A (0.48) KMT2AMAPTMEN1FBP1ALDH1A1
SCHEMBL231074 0.84 ALDH1A1 (0.60) KMT2AMAPTFBP1ALDH1A1KDM4E
SCHEMBL5202408 0.80 FBP1 (0.53) KMT2AMAPTMEN1FBP1ALDH1A1
SCHEMBL5202399 0.80 FBP1 (0.53) KMT2AMAPTMEN1FBP1ALDH1A1
SCHEMBL9480693 0.78 ALDH1A1 (0.53) KMT2AMAPTFBP1ALDH1A1KDM4E
SCHEMBL2439471 0.77 FBP1 (0.57) KMT2AMAPTFBP1ALDH1A1KDM4E
SCHEMBL2439472 0.77 FBP1 (0.57) KMT2AMAPTFBP1ALDH1A1KDM4E
SCHEMBL8039347 0.74 FBP1 (0.54) KMT2AMAPTFBP1ALDH1A1KDM4E
SCHEMBL230881 0.72 MEN1 (0.56) KMT2AMAPTMEN1FBP1ALDH1A1

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 7 patents. 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 claimed
US-5185370-A Substituted β-diketones and their use ORION-YHTYMA OY (FI) 1993-02-09 US claimed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP claimed
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
US-5292771-A Treating inflammatory bowel disease ORION-YHTYMA OY (FI) 1994-03-08 US disclosed
US-5185370-A Substituted β-diketones and their use ORION-YHTYMA OY (FI) 1993-02-09 US disclosed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP disclosed