SCHEMBL6156547

SCHEMBL6156547

CCC(O)(CC)CCCN(C)c1cccc(OC(C)c2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.39
MTNR1B P49286 15/20 0.39
ALDH1A1 P00352 2/20 0.36
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 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
SCHEMBL6157278 0.97 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1LTB4RLTB4R2
SCHEMBL6156499 0.90 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL6155374 0.87 ADRA2C (0.36) ALDH1A1LTB4RLTB4R2
SCHEMBL6156196 0.87 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL6156114 0.76 LTB4R (0.36) MTNR1AMTNR1BALDH1A1LTB4RLTB4R2
SCHEMBL6156554 0.76 BCL2 (0.43) MTNR1AMTNR1BLTB4RLTB4R2
SCHEMBL6157286 0.73 BCL2 (0.41) MTNR1AMTNR1BLTB4RLTB4R2
SCHEMBL6155134 0.73 APP (0.43) MTNR1AMTNR1B
SCHEMBL6156106 0.70 APP (0.42) MTNR1AMTNR1B
SCHEMBL6156550 0.69 BCL2 (0.41) MTNR1AMTNR1BLTB4RLTB4R2

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 2 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