SCHEMBL14557906

SCHEMBL14557906

CCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)CC)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14557892 0.93 ELANE (0.34) ELANEPOLBCASP1ALDH1A1LMNA
SCHEMBL14557905 0.89 POLB (0.31) POLBCASP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10066813 0.89 CASP1 (0.36) POLBNPC1CYP2C9RAB9ACASP1
SCHEMBL10066823 0.86 CASP1 (0.35) POLBNPC1CYP2C9RAB9ACASP1
SCHEMBL14557992 0.85 ELANE (0.34) ELANENPC1CYP2C9RAB9AALDH1A1
SCHEMBL14958917 0.85 NPC1 (0.30) POLBNPC1CYP2C9RAB9A
SCHEMBL14546135 0.85 ALDH1A1 (0.34) ELANEPOLBNPC1RAB9ACASP1
SCHEMBL12807627 0.83 ALDH1A1 (0.33) ELANEPOLBNPC1CYP2C9RAB9A
SCHEMBL14364636 0.83 ALDH1A1 (0.33) POLBNPC1RAB9ACASP1ALDH1A1
SCHEMBL12807621 0.82 RRM1 (0.34) POLBNPC1CYP2C9RAB9ACASP1

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-20070066759-A1 Block copolymers and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 — — US disclosed
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