SCHEMBL23169316

SCHEMBL23169316

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ ALPG P10696 1/20 0.38

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 0.85 ALDH1A1 (0.41) ALDH1A1FFAR1MAPTLMNASMN1; SMN2
SCHEMBL23169233 0.85 ALDH1A1 (0.41) ALDH1A1FFAR1MAPTLMNASMN1; SMN2
SCHEMBL23169129 0.85 LMNA (0.55) ALDH1A1FFAR1MAPTLMNASMN1; SMN2
SCHEMBL24835469 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL27503317 0.79 VCAM1 (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25986454 0.77 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6141237 0.75 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AHTTGAA
SCHEMBL23177029 0.74 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23177031 0.73 LMNA (0.51) ALDH1A1FFAR1MAPTLMNASMN1; SMN2
SCHEMBL13172453 0.73 ALDH1A1 (0.42) ALDH1A1FFAR1MAPTLMNASMN1; SMN2

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