SCHEMBL11730754

SCHEMBL11730754

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ NAMPT P43490 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
SCHEMBL11852592 0.91 ALDH1A1 (0.42) LTA4HALDH1A1
SCHEMBL11730971 0.91 ADRB2 (0.43) —
SCHEMBL11726046 0.90 FAAH (0.40) LTA4H
SCHEMBL11730159 0.90 TBXA2R (0.45) ALDH1A1
SCHEMBL11722942 0.90 TSHR (0.44) ALDH1A1
SCHEMBL11726905 0.89 NPC1 (0.40) —
SCHEMBL11730044 0.89 KDM4E (0.39) ALDH1A1
SCHEMBL11730449 0.89 CYSLTR2 (0.35) LTA4HALDH1A1NAMPT
SCHEMBL11731318 0.89 TBXAS1 (0.41) —
SCHEMBL11725475 0.89 MAPK1 (0.46) LTA4HALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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