SCHEMBL10066812

SCHEMBL10066812

CCC(C)Oc1ccc(Oc2ccc(C(=O)c3ccc(C(C)C)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC9A1 P19634 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ELANE P08246 4/20 0.34
▸ SLC9A2 Q9UBY0 1/20 0.33
▸ CASP1 P29466 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL15449167 0.78 KMT2A (0.42) ALDH1A1LMNAMAPTKMT2ASLC9A1
SCHEMBL10067128 0.77 ELANE (0.33) ALDH1A1LMNAMAPTKMT2AELANE
SCHEMBL13142202 0.74 LMNA (0.35) ALDH1A1LMNAMAPTKMT2AELANE
SCHEMBL13142815 0.73 CASP1 (0.33) ALDH1A1LMNAMAPTKMT2APTGS1
SCHEMBL13181448 0.73 ELANE (0.33) ALDH1A1LMNAMAPTKMT2AELANE
SCHEMBL10034448 0.73 FABP4 (0.48) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL12807620 0.71 SLC9A1 (0.35) ALDH1A1LMNAMAPTKMT2ASLC9A1
SCHEMBL12807619 0.71 CASP1 (0.33) ALDH1A1LMNAMAPTKMT2AELANE
SCHEMBL12807627 0.71 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKMT2ASLC9A1
SCHEMBL10067130 0.70 CASP1 (0.36) PTGS1CASP1NPC1RAB9APOLB

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
Send feedback