SCHEMBL6562982

SCHEMBL6562982

CCC(O)(CC)CC/C=C(\C)c1cc(COc2ccc(C(=O)O)c(C(=O)O)c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.35
ALDH1A1 P00352 1/20 0.33
MAOA P21397 8/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 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
SCHEMBL6562992 1.00 MAOB (0.35) MAOBALDH1A1MAOALTB4RLTB4R2
SCHEMBL6563960 0.90 MAOB (0.35) MAOBALDH1A1MAOALTB4RLTB4R2
SCHEMBL6563956 0.90 MAOB (0.35) MAOBALDH1A1MAOALTB4RLTB4R2
SCHEMBL6883924 0.89 ALOX5AP (0.34) MAOBMAOAMAPTSMN1; SMN2MRGPRX4
SCHEMBL6883929 0.89 ALOX5AP (0.34) MAOBMAOAMAPTSMN1; SMN2MRGPRX4
SCHEMBL6565090 0.86 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6565100 0.86 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6562969 0.83 MRGPRX4 (0.34) MAOBALDH1A1L3MBTL1MRGPRX4
SCHEMBL6562973 0.83 MRGPRX4 (0.34) MAOBALDH1A1L3MBTL1MRGPRX4
SCHEMBL6563982 0.83 DAO (0.33) MAOBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed