SCHEMBL11490100

SCHEMBL11490100

NC(O)=S.O=C(CCCN(Cc1ccc(Cl)cc1)C(O)=S)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ EPHX2 P34913 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 4/20 0.49
▸ EPHX1 P07099 2/20 0.49
▸ MDM2 Q00987 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11490096 0.87 POLB (0.55) POLBEPHX2GAAHPGDEPHX1
SCHEMBL11490047 0.81 SIGMAR1 (0.42) POLBGAACYP2C9CYP2C19LMNA
SCHEMBL11491368 0.78 HPGD (0.49) GAAHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL11490146 0.76 HTT (0.55) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11494201 0.74 CNR2 (0.46) POLBGAAHPGDLMNAHDAC3
SCHEMBL7568943 0.72 EPHX2 (0.64) POLBEPHX2HPGDEPHX1HDAC3
SCHEMBL11495724 0.72 USP2 (0.51) HPGDLMNAKMT2AMAPT
SCHEMBL23130338 0.71 POLB (1.00) POLBEPHX2GAAHPGDEPHX1
SCHEMBL12329225 0.70 EPHX2 (0.57) POLBEPHX2HPGDEPHX1CYP1A2
SCHEMBL24011222 0.70 EPHX1 (0.67) POLBEPHX2HPGDEPHX1LMNA

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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