SCHEMBL11490096

SCHEMBL11490096

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 4/20 0.51
▸ MDM2 Q00987 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ EPHX1 P07099 3/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL11490100 0.87 POLB (0.53) POLBGAAHPGDMDM2EPHX2
SCHEMBL11493894 0.80 TMEM97 (0.44) POLBGAAHPGDLMNAMAPT
SCHEMBL11495362 0.77 HTT (0.49) POLBHPGDLMNAMEN1KMT2A
SCHEMBL11490044 0.77 SIGMAR1 (0.42) POLBGAACYP2C19CYP2C9LMNA
SCHEMBL11491362 0.76 HPGD (0.51) POLBGAAHPGDCYP1A2CYP2C19
SCHEMBL11490144 0.74 HTT (0.56) HPGDMEN1KMT2ANPSR1
SCHEMBL11494197 0.73 CNR2 (0.48) POLBGAAHPGDLMNAMEN1
SCHEMBL23130338 0.73 POLB (1.00) POLBGAAHPGDEPHX2EPHX1
SCHEMBL7568943 0.71 EPHX2 (0.64) POLBHPGDEPHX2EPHX1MAPT
SCHEMBL11495723 0.70 USP2 (0.53) POLBHPGDCYP2C19CYP3A4CYP2C9

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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