SCHEMBL23288554

SCHEMBL23288554

CCCCC(CCCC(C)CC[C@@H](CNC)Oc1cccc(C#Cc2ccccc2)c1)C(=O)CCCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.44
▸ PTGES O14684 4/20 0.44
▸ ACACB O00763 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP3 P08254 3/20 0.38
▸ MMP2 P08253 2/20 0.36
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 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
SCHEMBL23288567 0.90 FFAR1 (0.43) FFAR1PTGESACACBALDH1A1KMT2A
SCHEMBL23288537 0.82 FFAR1 (0.46) FFAR1PTGESACACBALDH1A1KMT2A
SCHEMBL23288565 0.75 ALOX5 (0.45) ALDH1A1KMT2AMMP3MMP2
SCHEMBL23288559 0.72 FFAR1 (0.41) FFAR1PTGESALDH1A1KMT2AMMP3
SCHEMBL23288508 0.72 ALDH1A1 (0.41) FFAR1ALDH1A1KMT2AMMP3MMP2
SCHEMBL23288566 0.71 FFAR1 (0.41) FFAR1PTGESACACBALDH1A1KMT2A
SCHEMBL23288561 0.70 FFAR1 (0.43) FFAR1PTGESALDH1A1KMT2AMMP3
SCHEMBL23288517 0.69 FFAR1 (0.43) FFAR1PTGESACACBALDH1A1KMT2A
SCHEMBL23288524 0.68 FFAR1 (0.41) FFAR1PTGESACACBALDH1A1KMT2A
SCHEMBL27836396 0.68 FFAR1 (0.85) FFAR1

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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