SCHEMBL11596999

SCHEMBL11596999

CC(C)(C)c1ccc(OCCOc2ccc(C(C)(Oc3ccc(C(C)(C)C)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NR4A2 P43354 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL11596113 0.93 PPARA (0.51) SMN1; SMN2POLBRAB9ANPC1CASP3
SCHEMBL11597072 0.89 PPARA (0.50) SMN1; SMN2POLBRAB9ANPC1CASP3
SCHEMBL11595598 0.88 PPARA (0.55) SMN1; SMN2POLBNPC1KDM4EKMT2A
SCHEMBL11595796 0.84 PPARA (0.51) SMN1; SMN2POLBRAB9ANPC1CASP3
SCHEMBL11595888 0.84 PPARA (0.54) SMN1; SMN2NPC1KDM4EKMT2AMEN1
SCHEMBL11598544 0.84 PPARG (0.49) SMN1; SMN2POLBRAB9ANPC1CASP3
SCHEMBL11596810 0.82 PPARA (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1PPARA
SCHEMBL11595646 0.82 SMN1; SMN2 (0.48) SMN1; SMN2POLBRAB9ANPC1CASP3
SCHEMBL11596932 0.78 PPARA (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1PPARA
SCHEMBL10959273 0.78 SMN1; SMN2 (0.60) SMN1; SMN2POLBRAB9ANPC1CASP3

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
US-4125732-A HYPOLIPIDEMIC AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed