SCHEMBL12017971

SCHEMBL12017971

COC(=O)CCC(=O)OC(C(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL12019111 0.82 EGLN1 (0.36) LMNA
SCHEMBL12019079 0.82 ALDH1A1 (0.43) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL12019085 0.77 LMNA (0.58) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL13446169 0.76 LMNA (0.32) LMNAMAPT
SCHEMBL17376885 0.74 LMNA (0.33) TSHRLMNAALDH1A1MAPT
SCHEMBL17199314 0.74
SCHEMBL13446323 0.74
SCHEMBL13849599 0.73 TSHR (0.50) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL20471694 0.72 LMNA (0.32) LMNAMAPT
SCHEMBL12019101 0.72 NAAA (0.45) TSHRKMT2AMEN1LMNAKDM4E

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-20120219887-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-30 US disclosed