SCHEMBL11848646

SCHEMBL11848646

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ HPGD P15428 6/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NLRP1 Q9C000 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
SCHEMBL11726347 0.89 CYP1A2 (0.41) HPGDSMN1; SMN2ALDH1A1MAPK1TDP1
SCHEMBL11729975 0.89 RAB9A (0.44) MAPTHPGDTSHRSMN1; SMN2NPC1
SCHEMBL11730159 0.87 TBXA2R (0.45) ALDH1A1KMT2AL3MBTL1
SCHEMBL11728716 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1
SCHEMBL11730754 0.82 LTA4H (0.45) MAPTALDH1A1
SCHEMBL11656073 0.82 MAPT (0.45) MAPTHPGDTSHRSMN1; SMN2NPC1
SCHEMBL11731552 0.81 HPGD (0.45) MAPTHPGDTSHRSMN1; SMN2NPC1
SCHEMBL11852592 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1
SCHEMBL11732372 0.81 FAAH (0.36) —
SCHEMBL11730971 0.80 ADRB2 (0.43) HPGDSMN1; SMN2KMT2A

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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