SCHEMBL19601632

SCHEMBL19601632

CC(C)(C)C(=O)OCC12CC3CC(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 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ABL1 P00519 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL19601036 0.93 ALDH1A1 (0.41) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL19601631 0.90 MEN1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1NPSR1
SCHEMBL19601634 0.85 ALDH1A1 (0.39) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL19601035 0.84 ALDH1A1 (0.38) ALDH1A1TSHRNPC1RAB9AL3MBTL1
SCHEMBL19601635 0.83 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL26008770 0.82 ALDH1A1 (0.37) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL27255640 0.81 ALDH1A1 (0.38) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL25596679 0.78 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AL3MBTL1MEN1
SCHEMBL19601040 0.77 ALDH1A1 (0.43) ALDH1A1ABL1TSHRRIN1NPC1
SCHEMBL17548712 0.77 ALDH1A1 (0.39) 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