SCHEMBL11494197

SCHEMBL11494197

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HTT P42858 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
SCHEMBL11494201 0.85 CNR2 (0.46) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11490044 0.84 SIGMAR1 (0.42) CNR2NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL11493894 0.82 TMEM97 (0.44) CNR2RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL11495362 0.77 HTT (0.49) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL11491362 0.76 HPGD (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL8867879 0.76 ALDH1A1 (0.49) CNR2RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11495723 0.74 USP2 (0.53) TSHRRAB9ASMN1; SMN2HPGDLMNA
SCHEMBL9418070 0.73 ABCB11 (0.58) TSHRHDAC1HDAC6LMNAMAPK1
SCHEMBL11490144 0.73 HTT (0.56) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL11490096 0.73 POLB (0.55) NPC1RAB9AHPGDLMNAMEN1

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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