SCHEMBL6156499

SCHEMBL6156499

CC(Oc1cccc(N(C)CCCC(C)(C)O)c1)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.40
MTNR1B P49286 16/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6156196 0.97 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL6156547 0.90 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL6157278 0.87 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL6156114 0.81 LTB4R (0.36) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL6155374 0.78 ADRA2C (0.36) ALDH1A1
SCHEMBL6156502 0.75 BCL2 (0.44) MTNR1AMTNR1B
SCHEMBL6156207 0.72 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL6155835 0.72 APP (0.44) MTNR1AMTNR1B
SCHEMBL6155493 0.69 APP (0.44) MTNR1AMTNR1B
SCHEMBL6156500 0.68 MTNR1A (0.42) MTNR1AMTNR1B

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US 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