SCHEMBL11117929

SCHEMBL11117929

CC(C)(C)c1cc(CC(CC(CC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)(CC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)CC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O.O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
GAA P10253 5/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HMGCR P04035 2/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GSR P00390 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 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
SCHEMBL201844 0.86 HMGCR (0.47) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL1456085 0.84 HMGCR (0.41) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL6714136 0.79 CYP1A2 (0.42) ALDH1A1GAATSHRLMNAPOLB
SCHEMBL10883893 0.78 HMGCR (0.47) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL9117848 0.78 HMGCR (0.43) ALDH1A1GAATSHRLMNAHMGCR
SCHEMBL30578523 0.77 HSPA5 (0.42) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL11438781 0.76 HMGCR (0.45) ALDH1A1GAATSHRLMNAHMGCR
SCHEMBL2497432 0.76 HMGCR (0.45) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL606925 0.75 HMGCR (0.49) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL1286430 0.74 HMGCR (0.51) ALDH1A1GAATSHRHPGDLMNA

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-0115885-A1 Stabilized polymer composition STAMICARBON B.V. (NL) 1984-08-15 EP disclosed