SCHEMBL23915498

SCHEMBL23915498

O=C(CCOCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ TSHR P16473 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
SCHEMBL20364862 0.98 ALDH1A1 (0.33) SMN1; SMN2RAB9AALDH1A1HPGDALOX12
SCHEMBL16884595 0.98 ALDH1A1 (0.33) SMN1; SMN2RAB9AALDH1A1HPGDALOX12
SCHEMBL15147492 0.98 ALDH1A1 (0.33) SMN1; SMN2RAB9AALDH1A1HPGDALOX12
SCHEMBL422072 0.90 — —
SCHEMBL15147540 0.87 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1HPGDALOX12HTT
SCHEMBL126659 0.87 PSMB8 (0.33) ALOX12
SCHEMBL10099607 0.86 ALDH1A1 (0.31) ALDH1A1ALOX12
SCHEMBL410465 0.85 PSMB8 (0.32) ALOX12
SCHEMBL17776322 0.85 PSMB8 (0.32) ALOX12
SCHEMBL17776273 0.85 PSMB8 (0.32) ALOX12

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
US-20210317235-A1 METHODS AND SYSTEMS FOR POLYMER PRECIPITATION AND GENERATION OF PARTICLES NOVARTIS AG (CH) 2021-10-14 — — US disclosed
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