SCHEMBL9845247

SCHEMBL9845247

CCCCC(CC)COC(=O)C(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.43
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HMGCR P04035 2/20 0.43
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.36

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
SCHEMBL9674260 0.88 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL283905 0.83 CYP3A4 (0.51) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL284443 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL27881226 0.83 TSHR (0.43) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL284444 0.81 CYP3A4 (0.56) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL888619 0.81 HMGCR (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL9431242 0.81 HMGCR (0.46) HMGCRGAAKMT2A
SCHEMBL9431158 0.81 HMGCR (0.46) HMGCRGAAKMT2A
SCHEMBL12201039 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL27899847 0.80 HMGCR (0.50) ALDH1A1CYP3A4CA2LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415883-A2 Stabilizers for colour photographic materials CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed