SCHEMBL6155146

SCHEMBL6155146

CCC(O)(CC)CCCC(C)c1ccc(OCc2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 5/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL6154639 0.89 CYSLTR2 (0.43) MRGPRX4KMT2AFFAR1SMN1; SMN2ALOX5
SCHEMBL6886818 0.88 NPC1 (0.48) NPC1RAB9ARXRARXRBMRGPRX4
SCHEMBL6155468 0.81 NPC1 (0.42) NPC1RAB9ARXRARXRBALDH1A1
SCHEMBL6155463 0.81 VDR (0.44) NPC1RAB9ARXRARXRBMRGPRX4
SCHEMBL6886666 0.77 CYSLTR2 (0.40) NPC1RAB9AMRGPRX4HSP90AA1L3MBTL1
SCHEMBL2106608 0.76 MRGPRX4 (0.42) MRGPRX4FFAR1TP53PKMNFKB1
SCHEMBL6155474 0.76 CYSLTR2 (0.45) MRGPRX4KMT2AFFAR1SMN1; SMN2ALOX5
SCHEMBL15613832 0.72 NPC1 (0.57) NPC1RAB9ARXRARXRBMRGPRX4
SCHEMBL2785504 0.72 CYSLTR2 (0.40) ALDH1A1TSHRMEN1KMT2AFFAR1
SCHEMBL6155671 0.71 NR4A2 (0.43) MRGPRX4

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed