SCHEMBL7070229

SCHEMBL7070229

O=S(=O)(Cc1ccccc1)OCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8333942 0.84 LMNA (0.46) KMT2AHPGDUSP2HSD17B10LMNA
SCHEMBL7067625 0.83 KMT2A (0.47) KMT2AHPGDUSP2HSD17B10SMN1; SMN2
SCHEMBL29631301 0.80 KMT2A (0.41) KMT2AHPGDUSP2HSD17B10FAAH
SCHEMBL12816499 0.80 KMT2A (0.41) KMT2AHPGDUSP2HSD17B10LMNA
SCHEMBL8790740 0.79 ALDH1A1 (0.48) SMN1; SMN2TSHRALDH1A1
SCHEMBL6556991 0.77 GBA1 (0.43) KMT2AMAPK1ALDH1A1
SCHEMBL16223323 0.77 KMT2A (0.41) KMT2AHPGDUSP2HSD17B10MAPK1
SCHEMBL2953776 0.77 KMT2A (0.47) KMT2ALMNAFAAHPRSS1PRSS2
SCHEMBL3940510 0.76 KMT2A (0.35) KMT2AHPGDUSP2HSD17B10ALDH1A1
SCHEMBL29631334 0.76 NPSR1 (0.38) KMT2AHPGDHSD17B10LMNAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed