SCHEMBL19524898

SCHEMBL19524898

CCC(C)(C)Oc1cccc(Oc2ccc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ FDFT1 P37268 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 1/20 0.37

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
SCHEMBL10066692 0.89 HTT (0.39) HTTTDP1L3MBTL1FDFT1SMN1; SMN2
SCHEMBL10033513 0.86 ALDH1A1 (0.41) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL14454544 0.85 CA1 (0.45) SMN1; SMN2POLBHSD11B1LMNAMAPT
SCHEMBL12464120 0.82 HTT (0.40) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL13243767 0.81 HSD11B1 (0.37) HTTTDP1L3MBTL1FDFT1SMN1; SMN2
SCHEMBL12608146 0.81 NPC1 (0.45) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL10066693 0.80 NPC1 (0.53) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL10709703 0.80 HTT (0.60) HTTTDP1L3MBTL1FDFT1SMN1; SMN2
SCHEMBL18801605 0.79 HTT (0.67) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL10000946 0.79 ALDH1A1 (0.57) HTTTDP1L3MBTL1SMN1; SMN2NPC1

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
EP-2748227-B1 POLYSULFONE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-11-01 — — EP disclosed
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