SCHEMBL23288539

SCHEMBL23288539

CCCCN(CC(C)C(CCOCCC(=O)O)c1ccc(C#Cc2ccccc2)cc1)C(=O)CCCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ FFAR1 O14842 5/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ PTGES O14684 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ACACB O00763 1/20 0.35

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 0.85 FFAR1 (0.41) ALOX5FFAR1KMT2AALDH1A1PTGES
SCHEMBL23288560 0.78 ALDH1A1 (0.36) ALOX5FFAR1KMT2AALDH1A1MEN1
SCHEMBL23288561 0.76 FFAR1 (0.43) ALOX5FFAR1KMT2AALDH1A1PTGES
SCHEMBL23288559 0.74 FFAR1 (0.41) FFAR1KMT2AALDH1A1MEN1PTGES
SCHEMBL23288563 0.74 ALDH1A1 (0.42) KMT2AALDH1A1MEN1PTGESACACB
SCHEMBL23288506 0.71 ALOX5 (0.56) ALOX5KMT2AALDH1A1
SCHEMBL23288502 0.71 KMT2A (0.43) KMT2AALDH1A1MEN1PTGESACACB
SCHEMBL23288524 0.69 FFAR1 (0.41) FFAR1KMT2AALDH1A1PTGESFFAR4
SCHEMBL23288525 0.69 ALDH1A1 (0.46) KMT2AALDH1A1MEN1PTGESACACB
SCHEMBL23288552 0.67 ALOX5 (0.50) ALOX5KMT2AALDH1A1

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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