SCHEMBL25899693

SCHEMBL25899693

C=Cc1ccc(OC)c(C(=O)OC(C)(C)c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
TRPA1 O75762 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CTSL P07711 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
RAB9A P51151 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 2/20 0.37
BACE1 P56817 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25899689 0.90 TRPA1 (0.42) KMT2AMAPTTRPA1GAAALDH1A1
SCHEMBL23812292 0.88 KDM4E (0.37) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL25899696 0.88 TRPA1 (0.40) SMN1; SMN2KMT2AMAPTTRPA1ALDH1A1
SCHEMBL25899548 0.82 TRPA1 (0.49) SMN1; SMN2KMT2ATRPA1NFE2L2GAA
SCHEMBL23812289 0.80 TUBB4A (0.43) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL25899671 0.79 TRPA1 (0.46) SMN1; SMN2KMT2ATRPA1NFE2L2GAA
SCHEMBL14827325 0.79 CYP1A1 (0.40) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL25899670 0.79 TRPA1 (0.46) SMN1; SMN2MEN1KMT2AMAPTTRPA1
SCHEMBL25901057 0.78 PTGS2 (0.40) MAPTTRPA1
SCHEMBL23812287 0.76 HSD17B10 (0.41) SMN1; SMN2MAPTGAAALDH1A1HPGD

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-2023140364-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, COMPOUND, AND POLYMER 東京応化工業株式会社 2023-07-27 WO disclosed