SCHEMBL10067129

SCHEMBL10067129

CCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(OC(C)(C)C)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL13181493 0.93 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL10066813 0.93 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL10066823 0.90 CASP1 (0.35) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14546136 0.87 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14958915 0.86 RRM1 (0.32) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL10067132 0.84 ALDH1A1 (0.34) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14546135 0.84 ALDH1A1 (0.34) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL14557892 0.83 ELANE (0.34) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL13181465 0.83 MAPT (0.36) CASP1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL13918740 0.82 CASP1 (0.31) CASP1POLBNPC1RAB9ACYP2C9

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 2 patents. 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
US-20070281195-A1 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2007-12-06 — — US disclosed
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