SCHEMBL6566237

SCHEMBL6566237

Cc1cc(C(O)C(C)C)ccc1-c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
PTGS2 P35354 2/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GNA15 P30679 1/20 0.39
MAOB P27338 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL6565086 0.89 FFAR1 (0.41) FFAR1PTGS2ALOX5GNA15MAOB
SCHEMBL6566235 0.86 VDR (0.43) FFAR1PTGS2FFAR4
SCHEMBL6888111 0.80 FFAR1 (0.36) FFAR1PTGS2ALOX5FFAR4
SCHEMBL6564907 0.80 FFAR1 (0.36) FFAR1PTGS2ALOX5FFAR4
SCHEMBL6564911 0.80 FFAR1 (0.40) FFAR1PTGS2FFAR4
SCHEMBL6566293 0.76 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL6565081 0.76 VDR (0.43) FFAR1ALOX5FFAR4
SCHEMBL7611585 0.74 VDR (0.42) FFAR1PTGS2ALOX5MEN1KMT2A
SCHEMBL19961835 0.72 MRGPRX4 (0.53) FFAR1MAOBFFAR4
SCHEMBL6563103 0.71 FFAR1 (0.45) FFAR1ALOX5MEN1KMT2AGNA15

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-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed