SCHEMBL6154976

SCHEMBL6154976

CCOc1cc(OCC)c(OC)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 8/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
NEK2 P51955 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8555013 0.94 KDM4E (0.49) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL4849392 0.90 TSHR (0.51) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL6879560 0.86 TDP1 (0.47) TSHRHSD17B10KDM4ENCOA1NCOA3
SCHEMBL14373029 0.84 TSHR (0.49) TSHRHSD17B10KDM4ENCOA1NCOA3
SCHEMBL4959311 0.80 TSHR (0.51) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL10697777 0.80 KDM4E (0.48) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL27793485 0.79 KDM4E (0.50) HSD17B10KDM4ESMN1; SMN2LMNATP53
SCHEMBL4410409 0.79 TSHR (0.45) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL7781045 0.79 TSHR (0.50) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL19873254 0.79 TSHR (0.58) TSHRHSD17B10KDM4ESMN1; SMN2LMNA

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