SCHEMBL2222874

SCHEMBL2222874

O=C(O)CC(CC(=O)NCCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
TACR1 P25103 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 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
SCHEMBL7815058 0.84 MAPT (0.59) MAPTLMNAKDM4ERECQLALDH1A1
SCHEMBL29050822 0.84 MAPT (0.59) MAPTPOLBKDM4ERECQLALDH1A1
SCHEMBL7809430 0.84 PLAAT3 (0.50) POLBLMNATAAR1ALDH1A1HPGD
SCHEMBL15571274 0.84 LMNA (0.68) POLBLMNATAAR1ALDH1A1HPGD
SCHEMBL26975671 0.80 LMNA (0.68) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL7438292 0.80 KMT2A (0.60) POLBLMNATAAR1ALDH1A1HPGD
SCHEMBL26975666 0.78 LMNA (0.48) MAPTPOLBLMNAALDH1A1TACR1
SCHEMBL503819 0.78 GABBR2 (0.76) MAPTPOLBLMNAKDM4ERECQL
SCHEMBL6045130 0.78 KMT2A (0.79) MAPTPOLBLMNATAAR1RECQL
SCHEMBL7811226 0.77 THRB (0.54) MAPTLMNAALDH1A1HPGDKMT2A

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
WO-2011086565-A1 METHOD FOR PREPARATION OF ENANTIOMERICALLY ENRICHED AND/OR RACEMIC GAMMA-AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 WO disclosed