SCHEMBL9488109

SCHEMBL9488109

CCOC(=O)c1ccc(-c2ccccc2)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA14 Q9ULX7 2/20 0.66
EGFR P00533 1/20 0.56
HSD17B2 P37059 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52

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
SCHEMBL3586442 0.88 RAB9A (0.53) CA12CA1CA2CA7CA9
SCHEMBL29918535 0.86 MAPT (0.64) CA12CA1CA2CA7CA9
SCHEMBL28344398 0.85 RAB9A (0.53) CA12CA1CA2CA7CA9
SCHEMBL5937237 0.85 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28813537 0.85 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL28771192 0.85 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL6205925 0.85 RAB9A (0.60) CA12CA1CA2CA7CA9
SCHEMBL28740395 0.83 TSHR (0.54) CA12CA1CA2CA7CA9
SCHEMBL8699645 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3596327 0.82 RAB9A (0.52) CA12CA1CA2CA7CA9

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
CN-101087752-B Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV 2011-11-16 CN disclosed
CN-101087752-A Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV (FR) 2007-12-12 CN disclosed
EP-0228703-B1 FERROELECTRIC LIQUID CRYSTAL POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-10 EP disclosed
EP-0228703-A2 Ferroelectric liquid crystal polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-15 EP disclosed