SCHEMBL19601634

SCHEMBL19601634

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ABL1 P00519 1/20 0.38
TSHR P16473 1/20 0.38
RIN1 Q13671 1/20 0.38
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
HSD11B1 P28845 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
SCHEMBL19601040 0.93 ALDH1A1 (0.43) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL19601633 0.91 ALDH1A1 (0.37) ALDH1A1TSHRNPC1RAB9AL3MBTL1
SCHEMBL19601632 0.85 ALDH1A1 (0.37) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL17548714 0.85 ALDH1A1 (0.41) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL19601038 0.84 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RAB9ANPSR1
SCHEMBL19601636 0.83 MEN1 (0.33) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL26008778 0.81 ALDH1A1 (0.38) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL26029079 0.80 ALDH1A1 (0.40) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL27255643 0.80 ALDH1A1 (0.40) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL26061892 0.80 ALDH1A1 (0.46) ALDH1A1ABL1TSHRRIN1NPC1

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