SCHEMBL11494201

SCHEMBL11494201

CCN(CC)C(=O)CCCN(Cc1ccc(Cl)cc1)C(O)=S.NC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ ALDH2 P05091 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL11490047 0.87 SIGMAR1 (0.42) CNR2LMNAMAPK1ALDH1A1ALDH2
SCHEMBL11494197 0.85 CNR2 (0.48) CNR2LMNANPC1TSHRALOX15
SCHEMBL11491368 0.77 HPGD (0.49) NPC1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL11495724 0.75 USP2 (0.51) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11490146 0.75 HTT (0.55) LMNATSHRALDH1A1SMN1; SMN2HDAC3
SCHEMBL11496730 0.74 ALDH1A1 (0.43) CNR2NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11490100 0.74 POLB (0.53) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL11493896 0.74 KMT2A (0.42) CNR2LMNAMAPK1ALDH1A1ALDH2
SCHEMBL11490044 0.74 SIGMAR1 (0.42) CNR2LMNANPC1MAPK1ALDH1A1
SCHEMBL25555106 0.70 ALDH1A1 (0.73) CNR2LMNATSHRALOX15HSD17B10

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-4202832-A ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US disclosed
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