SCHEMBL23288561

SCHEMBL23288561

CCCCC(CCCC[C@H](CCOCCC(=O)O)c1ccc(C#Cc2ccccc2)cc1)C(=O)CCCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PTGES O14684 2/20 0.37
▸ MMP3 P08254 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 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
SCHEMBL23288566 0.88 FFAR1 (0.41) FFAR1ALDH1A1MMP2MMP9MMP12
SCHEMBL23288560 0.78 ALDH1A1 (0.36) FFAR1ALDH1A1KMT2APTGESALOX5
SCHEMBL23288508 0.78 ALDH1A1 (0.41) FFAR1ALDH1A1MMP2KMT2AFFAR4
SCHEMBL23288559 0.78 FFAR1 (0.41) FFAR1ALDH1A1MMP2MMP9MMP12
SCHEMBL23288539 0.76 ALOX5 (0.42) FFAR1ALDH1A1KMT2AFFAR4PTGES
SCHEMBL23288524 0.73 FFAR1 (0.41) FFAR1ALDH1A1MMP2MMP9MMP12
SCHEMBL23288537 0.73 FFAR1 (0.46) FFAR1ALDH1A1MMP2MMP9MMP12
SCHEMBL23288517 0.73 FFAR1 (0.43) FFAR1ALDH1A1KMT2APTGES
SCHEMBL23288553 0.71 FFAR1 (0.41) FFAR1ALDH1A1KMT2APTGES
SCHEMBL23288565 0.68 ALOX5 (0.45) ALDH1A1MMP2KMT2AMMP3ALOX5

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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