SCHEMBL27409174

SCHEMBL27409174

Cc1c[nH]c(C(C)C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.59
LDHA P00338 7/20 0.40
LDHB P07195 6/20 0.40
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
ALB P02768 3/20 0.37
CYP3A4 P08684 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALPL P05186 1/20 0.30
CA9 Q16790 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL27259141 0.79 HTT (0.41) NOTUMCYP3A4ACHEALDH1A1SMN1; SMN2
SCHEMBL23498811 0.77 ALDH1A1 (0.44) CYP3A4ALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL1082810 0.74 NOTUM (1.00) NOTUMLDHALDHBCYP3A4ACHE
SCHEMBL27577761 0.73 HTT (0.49) ALDH1A1
SCHEMBL27409177 0.70 NOTUM (0.33) NOTUMALDH1A1MAPK1
SCHEMBL11860616 0.69 NOTUM (0.61) NOTUMLDHALDHBCYP3A4ACHE
SCHEMBL29956998 0.69 NOTUM (0.55) NOTUMCYP3A4ACHEALDH1A1SMN1; SMN2
SCHEMBL4585396 0.69 NOTUM (0.61) NOTUMLDHALDHBCYP3A4ACHE
SCHEMBL15570057 0.68 FABP3 (0.39) NOTUMLDHALDHBFABP3FABP4
SCHEMBL2973655 0.67 NOTUM (0.57) NOTUMLDHALDHBCYP3A4ACHE

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
WO-2024137915-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (US) 2024-06-27 WO disclosed