SCHEMBL6566321

SCHEMBL6566321

Cc1cc(C(=O)O)ccc1-c1cc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.48
NR1H4 Q96RI1 1/20 0.44
NR4A2 P43354 2/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G2A P14555 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL6886884 0.92 MRGPRX4 (0.43) MRGPRX4SMN1; SMN2PKMRAB9AALDH1A1
SCHEMBL6562778 0.89 NR1H4 (0.48) MRGPRX4NR1H4NR4A2SMN1; SMN2TP53
SCHEMBL6565076 0.89 MRGPRX4 (0.47) MRGPRX4NR1H4NR4A2PPARASMN1; SMN2
SCHEMBL6562842 0.89 MRGPRX4 (0.47) MRGPRX4NR1H4NR4A2PPARASMN1; SMN2
SCHEMBL6564818 0.87 MRGPRX4 (0.54) MRGPRX4NR1H4NR4A2
SCHEMBL6888088 0.85 PPARG (0.46) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6562731 0.83 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6885435 0.83 MRGPRX4 (0.41) MRGPRX4PPARASMN1; SMN2RAB9AALDH1A1
SCHEMBL2851878 0.83 RAB9A (0.44) MRGPRX4SMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL6882624 0.82 SMN1; SMN2 (0.45) MRGPRX4NR1H4SMN1; SMN2RAB9AALDH1A1

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
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed