SCHEMBL6130487

SCHEMBL6130487

CCCC(Nc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
MME P08473 1/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4535859 1.00 FPR2 (0.49) FPR2MMEMAPTALDH1A1HPGD
SCHEMBL859719 0.89 ALDH1A1 (0.52) MMEMAPTALDH1A1HPGDKMT2A
SCHEMBL29432860 0.89 ALDH1A1 (0.52) MMEMAPTALDH1A1HPGDKMT2A
SCHEMBL4668778 0.88 ALDH1A1 (0.48) MMEMAPTALDH1A1KMT2AMEN1
SCHEMBL7572763 0.86 HDAC8 (0.49) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL18738256 0.86 HDAC8 (0.49) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL5955332 0.86 HPGD (0.51) FPR2MMEMAPTALDH1A1HPGD
SCHEMBL27485422 0.86 FPR2 (0.50) FPR2MMEMAPTALDH1A1HPGD
SCHEMBL4526295 0.85 ALDH1A1 (0.50) MMEMAPTALDH1A1HPGDKMT2A
SCHEMBL8635820 0.85 ALDH1A1 (0.50) MMEMAPTALDH1A1HPGDKMT2A

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-1416934-A4 PROTEIN KINASE INHIBITORS COMPRISING ATP MIMETICS CONJUGATED TO PEPTIDES OR PEPTIDOMIMETICS PEPTOR LTD (IL) 2005-11-02 EP claimed
EP-1416934-A2 PROTEIN KINASE INHIBITORS COMPRISING ATP MIMETICS CONJUGATED TO PEPTIDES OR PEPTIDOMIMETICS Peptor Ltd. (IL) 2004-05-12 EP claimed
WO-2003010281-A2 PROTEIN KINASE INHIBITORS COMPRISING ATP MIMETICS CONJUGATED TO PEPTIDES OR PEPTIDOMIMETICS PEPTOR LTD. (IL) 2003-02-06 WO claimed
EP-3488000-A1 METHODS AND MATERIALS FOR BIOSYNTHESIZING MULTIFUNCTIONAL, MULTIVARIATE MOLECULES VIA CARBON CHAIN MODIFICATION INVISTA Textiles (U.K.) Limited (GB) 2019-05-29 EP disclosed
WO-2018022633-A1 METHODS AND MATERIALS FOR BIOSYNTHESIZING MULTIFUNCTIONAL, MULTIVARIATE MOLECULES VIA CARBON CHAIN MODIFICATION INVISTA TEXTILES (U.K.) LIMITED (GB) 2018-02-01 WO disclosed
CN-101402537-B Uses of 2-pyridine-beta ketone compounds GUANGZHOU INST BIOMED & HEALTH 2011-04-27 CN disclosed
CN-101402537-A Uses of 2-pyridine-beta ketone compounds GUANGZHOU INST BIOMED & HEALTH (CN) 2009-04-08 CN disclosed