SCHEMBL19601633

SCHEMBL19601633

CC(C)(C)COC(=O)C12CC3CC(C1)C1(OCC(CCC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
PRKCA P17252 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 2/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL19601636 0.92 MEN1 (0.33) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL19601038 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AATMCYP17A1
SCHEMBL19601634 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL19601631 0.84 MEN1 (0.37) ALDH1A1MEN1KMT2AATMCYP17A1
SCHEMBL19601040 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL17548717 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATMCYP17A1
SCHEMBL19822790 0.82 MEN1 (0.34) ALDH1A1MEN1KMT2AATM
SCHEMBL19601041 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AATMCYP17A1
SCHEMBL25454568 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AATMCYP17A1
SCHEMBL25510116 0.80 MEN1 (0.33) ALDH1A1MEN1KMT2AATM

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-20170329224-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-16 US disclosed