SCHEMBL23219895

SCHEMBL23219895

CC(C)C(C)(C)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SYK P43405 1/20 0.44
SLC15A1 P46059 1/20 0.44
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CTSS P25774 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8201762 0.83 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL20111501 0.83 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL15492552 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL23963957 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL15114664 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL13478289 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27616534 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL23542539 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL15114665 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL20934789 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112024-A1 DNQ-FREE CHEMICALLY AMPLIFIED RESIST COMPOSITION MERCK PATENT GMBH (DE) 2023-04-13 US disclosed
US-20220019141-A1 POSITIVE WORKING PHOTOSENSITIVE MATERIAL MERCK PATENT GMBH (DE) 2022-01-20 US disclosed
US-10976662-B2 Positive working photosensitive material MERCK PATENT GMBH (DE) 2021-04-13 US disclosed