SCHEMBL6155944

SCHEMBL6155944

CCC(OCCC(O)(CC)CC)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
ALOX5 P09917 2/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6155936 0.85 VDR (0.48) FFAR1ALOX5MAOB
SCHEMBL2785504 0.81 CYSLTR2 (0.40) FFAR1ALOX5KMT2ASMN1; SMN2MEN1
SCHEMBL6155616 0.79 ALOX5 (0.39) FFAR1ALOX5KMT2ASMN1; SMN2MEN1
SCHEMBL6155510 0.78 MAPK1 (0.39) FFAR1ALOX5KMT2ASMN1; SMN2MEN1
SCHEMBL6888584 0.76 KMT2A (0.42) ALOX5KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4169952 0.75 APP (0.40) ALOX5MAOB
SCHEMBL6156388 0.75 ALOX5 (0.39) ALOX5MAOB
SCHEMBL6158294 0.74 PDK1 (0.41) KMT2ASMN1; SMN2MEN1MAOBLMNA
SCHEMBL6883442 0.74 BCHE (0.52) KMT2ASMN1; SMN2MEN1
SCHEMBL2783957 0.74 MAOB (0.42) MAOB

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 claimed
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