SCHEMBL11733944

SCHEMBL11733944

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ABCB1 P08183 5/20 0.41
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE5A O76074 1/20 0.38

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
SCHEMBL11730449 0.90 CYSLTR2 (0.35) —
SCHEMBL11730971 0.90 ADRB2 (0.43) KMT2ASMN1; SMN2
SCHEMBL11722942 0.90 TSHR (0.44) —
SCHEMBL11730159 0.90 TBXA2R (0.45) KMT2A
SCHEMBL11728191 0.89 MEN1 (0.44) KMT2AMEN1TAAR1ABCB1ATM
SCHEMBL11726905 0.89 NPC1 (0.40) —
SCHEMBL11725475 0.89 MAPK1 (0.46) —
SCHEMBL11730044 0.89 KDM4E (0.39) KMT2A
SCHEMBL11730754 0.88 LTA4H (0.45) —
SCHEMBL11732450 0.88 PRMT5 (0.36) —

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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