SCHEMBL6155052

SCHEMBL6155052

CC(C)(O)/C=C/C=C/C(C)(C)c1cccc(OCc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCL2 P10415 2/20 0.40
MAOB P27338 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL6155057 1.00 NR4A2 (0.46) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6887832 0.88 MRGPRX4 (0.41) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6887830 0.88 MRGPRX4 (0.41) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6155449 0.81 VDR (0.54) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6155433 0.81 VDR (0.54) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6155445 0.79 NR4A1 (0.40) NR4A2NR4A1NR4A3PKMBCL2
SCHEMBL3205501 0.77 PKM (0.55) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL3205494 0.77 PKM (0.55) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6155559 0.76 FFAR1 (0.43) NR4A2NR4A1NR4A3MRGPRX4PKM
SCHEMBL6155553 0.76 FFAR1 (0.43) NR4A2NR4A1NR4A3MRGPRX4PKM

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed