SCHEMBL23288508

SCHEMBL23288508

CCCCC(CCCC(C)CCCOCCC(=O)O)C(=O)CCCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ MMP3 P08254 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 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
SCHEMBL23288565 0.85 ALOX5 (0.45) ALDH1A1KMT2AALOX5MMP3MMP2
SCHEMBL23288566 0.80 FFAR1 (0.41) ALDH1A1KMT2AALOX5FFAR1MMP3
SCHEMBL23288561 0.78 FFAR1 (0.43) ALDH1A1KMT2AALOX5FFAR1MMP3
SCHEMBL503646 0.71 ALOX5 (0.68) ALDH1A1KMT2AALOX5FFAR1FFAR4
SCHEMBL10165844 0.70 ALOX5 (0.62) ALDH1A1KMT2AALOX5
SCHEMBL9330077 0.69 CNR1 (0.51) ALDH1A1ALOX5MMP3MMP2S1PR1
SCHEMBL10416276 0.69 ALOX5 (0.60) ALDH1A1KMT2AALOX5
SCHEMBL15279138 0.68 CALM1 (0.51) ALDH1A1KMT2AALOX5LMNAL3MBTL1
SCHEMBL12459723 0.68 L3MBTL1 (0.64) ALDH1A1KMT2AALOX5LMNAL3MBTL1
SCHEMBL28543983 0.67 MAPT (0.58) ALDH1A1FFAR1FFAR4S1PR1S1PR3

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-2021081315-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS THE BROAD INSTITUTE, INC. (US) 2021-04-29 — — WO disclosed
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