SCHEMBL22728348

SCHEMBL22728348

CC1(C)CC(=O)N(CC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PTGDR2 Q9Y5Y4 9/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5010489 0.80 KMT2A (0.48) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL14263543 0.80 KMT2A (0.53) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL9823770 0.78 PTGS1 (0.47) KMT2AALDH1A1MEN1PTGDR2SMN1; SMN2
SCHEMBL12600976 0.75 CHRM2 (0.52) KMT2AALDH1A1TSHRMEN1SMN1; SMN2
SCHEMBL5334247 0.75 ALDH1A1 (0.51) KMT2AALDH1A1PTGDR2ATMCA12
SCHEMBL16038492 0.74 CHRM2 (0.36) KMT2ATSHRMEN1
SCHEMBL19621068 0.74 KMT2A (0.42) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL16645999 0.74 KMT2A (0.42) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL21389277 0.73 GAA (0.38) KMT2AALDH1A1HTTL3MBTL1
SCHEMBL8283007 0.72 CHRM2 (0.41) KMT2AALDH1A1TSHRMEN1

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-20200377713-A1 POLYMERS, PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2020-12-03 US disclosed