SCHEMBL10040169

SCHEMBL10040169

C=CCCC(=O)NCc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 7/20 0.51
NR1H4 Q96RI1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
FOLH1 Q04609 1/20 0.46
GAA P10253 1/20 0.46
MITF O75030 1/20 0.46
MAPK1 P28482 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL7990865 0.84 GAA (0.66) ALDH1A1KMT2AMEN1GAA
SCHEMBL10005866 0.82 SELL (0.56) NR1H4ALDH1A1KMT2AMEN1GAA
SCHEMBL20839887 0.80 NR1H4 (0.55) MEP1BNR1H4RAB9ANPC1KDM4E
SCHEMBL6374446 0.79 GAA (0.55) MEP1BNR1H4ALDH1A1KMT2AMEN1
SCHEMBL15672583 0.78 NR1H4 (0.59) MEP1BNR1H4RAB9ANPC1KMT2A
SCHEMBL4871285 0.77 FOLH1 (0.56) MEP1BRAB9ANPC1KDM4EKMT2A
SCHEMBL15600276 0.77 NR1H4 (0.61) MEP1BNR1H4RAB9ANPC1KMT2A
SCHEMBL27081253 0.76 TRPV1 (0.47) NR1H4KMT2AMEN1GAA
SCHEMBL28313089 0.74 NR1H4 (0.56) MEP1BNR1H4NPC1KMT2AMEN1
SCHEMBL23316731 0.74 NR1H4 (0.58) MEP1BNR1H4RAB9ANPC1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096951-B2 Method for producing second-generation library NUEVOLUTION A/S (DK) 2015-08-04 US disclosed
US-20120028812-A1 METHOD FOR PRODUCING SECOND-GENERATION LIBRARY NUEVOLUTION A/S (DK) 2012-02-02 US disclosed
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-20070026397-A1 Method for producing second-generation library NUEVOLUTION A/S (DK) 2007-02-01 US disclosed
US-20070026397-A1 Method for producing second-generation library NUEVOLUTION A/S (DK) 2007-02-01 US disclosed