SCHEMBL23169233

SCHEMBL23169233

CCC(C)(C)C(=O)OCc1ccc(OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 5/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ THRB P10828 2/20 0.36
▸ ALPG P10696 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR55 Q9Y2T6 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
SCHEMBL23176772 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAFFAR1
SCHEMBL23177029 0.89 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL23177031 0.88 LMNA (0.51) ALDH1A1LMNAFFAR1SMN1; SMN2NPC1
SCHEMBL23169316 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAFFAR1
SCHEMBL14568385 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL24835469 0.79 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL25986454 0.75 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL13172453 0.71 ALDH1A1 (0.42) ALDH1A1LMNAFFAR1SMN1; SMN2NPC1
SCHEMBL15294398 0.71 TRPA1 (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3268541 0.70 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057061-A1 SENOLYTIC AND ANTIINFLAMMATORY PRODRUGS AND METHODS OF USE THEREOF PEKING UNIVERSITY (CN) 2021-04-01 — — WO disclosed
WO-2021056996-A1 SENOLYTIC AND ANTIINFLAMMATORY PRODRUGS AND METHODS OF USE THEREOF PEKING UNIVERSITY (CN) 2021-04-01 — — WO disclosed
Send feedback