SCHEMBL23288565

SCHEMBL23288565

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MMP3 P08254 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ F2RL1 P55085 1/20 0.40
▸ BMP1 P13497 1/20 0.40

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
SCHEMBL23288508 0.85 ALDH1A1 (0.41) ALOX5ALDH1A1KMT2AMMP3MMP2
SCHEMBL23288554 0.75 FFAR1 (0.44) ALDH1A1KMT2AMMP3MMP2
SCHEMBL10165844 0.74 ALOX5 (0.62) ALOX5ALDH1A1KMT2AF2RL1
SCHEMBL23288567 0.74 FFAR1 (0.43) ALOX5ALDH1A1KMT2AMMP3
SCHEMBL9330077 0.73 CNR1 (0.51) ALOX5ALDH1A1MMP3MMP2F2RL1
SCHEMBL10416276 0.73 ALOX5 (0.60) ALOX5ALDH1A1KMT2AF2RL1
SCHEMBL15279138 0.73 CALM1 (0.51) ALOX5ALDH1A1KMT2A
SCHEMBL12427784 0.71 SLC6A4 (0.55) KMT2A
SCHEMBL28775909 0.70 ALOX5 (0.60) ALOX5ALDH1A1KMT2AF2RL1
SCHEMBL6989069 0.70 CALM1 (0.56) ALOX5ALDH1A1KMT2AF2RL1

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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