SCHEMBL27586331

SCHEMBL27586331

Clc1c[c]ccc1N1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.40
CYP2A13 Q16696 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.33
AKR1C3 P42330 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
ADRB1 P08588 1/20 0.32
PRKDC P78527 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCL2 P10415 1/20 0.31
BID P55957 1/20 0.31

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
SCHEMBL4880816 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HSD17B10ALOX15
SCHEMBL4430996 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15POLB
SCHEMBL1897597 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15POLB
SCHEMBL1028400 0.80 LGMN (0.50) LGMNMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8213975 0.80 ALDH1A1 (0.42) LGMNALDH1A1HSD17B10ALOX15MAPK10
SCHEMBL4113163 0.78 DRD2 (0.51) ALDH1A1POLBMAPTKDM4EL3MBTL1
SCHEMBL2125041 0.78 MAPT (0.50) LGMNMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4485709 0.77 CHRM1 (0.37) ALDH1A1ADRB1KDM4EL3MBTL1
SCHEMBL17838712 0.74 KDM4E (0.41) ALDH1A1MAPK10MAPTKDM4E
SCHEMBL27769716 0.74 CYP2D6 (0.45) MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1538951-A Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells ��ķ�ɷ����޹�˾ 2004-10-20 CN claimed
CN-1538951-B Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells DOMPE SPA 2013-08-28 CN disclosed
CN-1538951-A Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells ��ķ�ɷ����޹�˾ 2004-10-20 CN disclosed