SCHEMBL20057512

SCHEMBL20057512

Cc1cc(C(C)(C)c2ccc(NC[C@@H]3CO3)c(C)c2)ccc1NCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
HIF1A Q16665 1/20 0.44
VDR P11473 5/20 0.40
AR P10275 1/20 0.40
ESR1 P03372 2/20 0.38
BCL2 P10415 1/20 0.34
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KLF10 Q13118 1/20 0.31

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
SCHEMBL16641019 0.78 HPGD (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL932900 0.78 HPGD (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL30145080 0.74 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2919616 0.74 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23094056 0.74 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL19487204 0.71 BCL2 (0.34) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1755839 0.68 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL10021043 0.67 ALDH1A1 (0.67) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL11652112 0.66 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL10903097 0.66 ESR1 (0.61) MAPTMEN1KMT2AALDH1A1TP53

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-3309615-A1 LAMINATE AND PATTERN FORMING METHOD Shin-Etsu Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed