SCHEMBL19601626

SCHEMBL19601626

O=C1C2CC3CC1CC(C(=O)CCC1OC4(OC1COC(=O)C15CC6CC(C1)C(=O)C(C6)C5)C1CC5CC(C1)CC4C5)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP17A1 P05093 2/20 0.32
CYP19A1 P11511 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
PRKCA P17252 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL25596647 0.92 CYP17A1 (0.37) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL19601026 0.92 CYP17A1 (0.37) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL26375633 0.91 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL26343187 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL26375621 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL26061953 0.83 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL19601022 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL19937894 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL26011363 0.81 MEN1 (0.31) ALDH1A1MEN1KMT2AATM
SCHEMBL25515112 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AATMKDM4E

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