SCHEMBL23008679

SCHEMBL23008679

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CTSS P25774 2/20 0.50
CTSB P07858 2/20 0.50
CTSL P07711 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL11057964 0.85 ALDH1A1 (0.51) ALDH1A1CTSSCTSBTDP1MAPK1
SCHEMBL7495338 0.83 ALDH1A1 (0.53) ALDH1A1CTSSCTSBCTSLTDP1
SCHEMBL7495332 0.83 ALDH1A1 (0.53) ALDH1A1CTSSCTSBCTSLTDP1
SCHEMBL7368915 0.83 ALDH1A1 (0.56) ALDH1A1CTSBTDP1MAPK1L3MBTL1
SCHEMBL7350146 0.83 ALDH1A1 (0.56) ALDH1A1CTSBTDP1MAPK1L3MBTL1
SCHEMBL7368912 0.83 ALDH1A1 (0.56) ALDH1A1CTSBTDP1MAPK1L3MBTL1
SCHEMBL25207205 0.83 ALDH1A1 (0.49) ALDH1A1CTSSCTSBCTSLTDP1
SCHEMBL10705317 0.82 ALDH1A1 (0.51) ALDH1A1CTSSCTSBCTSLTDP1
SCHEMBL10069694 0.82 ALDH1A1 (0.51) ALDH1A1CTSSCTSBCTSLTDP1
SCHEMBL28732907 0.82 ALDH1A1 (0.51) ALDH1A1CTSSCTSBCTSLTDP1

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
EP-3778249-A1 PRETREATMENT LIQUID, INK SET, IMAGE RECORDED MATERIAL, SUBSTRATE FOR IMAGE RECORDING, MANUFACTURING METHOD OF SUBSTRATE FOR IMAGE RECORDING, AND IMAGE RECORDING METHOD Fujifilm Corporation (JP) 2021-02-17 EP disclosed