SCHEMBL11852592

SCHEMBL11852592

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11726046 0.91 FAAH (0.40) LTA4H
SCHEMBL11730754 0.91 LTA4H (0.45) ALDH1A1LTA4H
SCHEMBL11722942 0.91 TSHR (0.44) ALDH1A1ADRB2L3MBTL1
SCHEMBL11725291 0.88 TBXAS1 (0.43) ALDH1A1TBXAS1GAAADRB2PKM
SCHEMBL11730971 0.86 ADRB2 (0.43) ADRB2KMT2A
SCHEMBL11730159 0.85 TBXA2R (0.45) ALDH1A1GAAPKMKMT2AL3MBTL1
SCHEMBL11726905 0.84 NPC1 (0.40) —
SCHEMBL11730044 0.84 KDM4E (0.39) ALDH1A1KMT2A
SCHEMBL11730449 0.84 CYSLTR2 (0.35) ALDH1A1LTA4H
SCHEMBL11731318 0.84 TBXAS1 (0.41) TBXAS1ADRB2

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
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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