SCHEMBL10066823

SCHEMBL10066823

CCC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 4/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL10066813 0.97 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14557892 0.93 ELANE (0.34) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14364636 0.93 ALDH1A1 (0.33) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14958924 0.92 CASP1 (0.33) CASP1POLBNPC1CYP2C9RAB9A
SCHEMBL13918740 0.92 CASP1 (0.31) CASP1POLBNPC1CYP2C9RAB9A
SCHEMBL14958907 0.91 CASP1 (0.30) CASP1PPARA
SCHEMBL10067129 0.90 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14958917 0.89 NPC1 (0.30) POLBNPC1CYP2C9RAB9A
SCHEMBL13181493 0.89 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14546135 0.89 ALDH1A1 (0.34) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1

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-8178590-B2 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-15 — — US disclosed
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