SCHEMBL11733952

SCHEMBL11733952

CCOC(=O)CCCCCCN(CCCC(O)COc1cccc(C(C)=O)c1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 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
SCHEMBL11730458 0.90 ALDH1A1 (0.37) KMT2A
SCHEMBL11730979 0.90 HPGD (0.44) KMT2A
SCHEMBL11722951 0.89 TSHR (0.46) —
SCHEMBL11728198 0.89 ABCB1 (0.46) ABCB1MEN1KMT2ATAAR1
SCHEMBL11726911 0.88 NPC1 (0.38) KMT2A
SCHEMBL11730056 0.88 ALDH1A1 (0.41) KMT2A
SCHEMBL11732457 0.88 ALDH1A1 (0.39) KMT2A
SCHEMBL11730168 0.88 TBXA2R (0.46) KMT2A
SCHEMBL11725477 0.88 MAPK1 (0.46) KMT2A
SCHEMBL11730758 0.88 TDP1 (0.45) KMT2A

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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