SCHEMBL8524696

SCHEMBL8524696

CC(=O)OC[C@@H]1CC(OC(C)=O)[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.39
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
ADORA2B P29275 2/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL8524417 1.00 SLC15A1 (0.39) SLC15A1CCNT1CDK9ADORA2BATM
SCHEMBL8524692 1.00 SLC15A1 (0.39) SLC15A1CCNT1CDK9ADORA2BATM
SCHEMBL8524414 1.00 SLC15A1 (0.39) SLC15A1CCNT1CDK9ADORA2BATM
SCHEMBL7608537 0.81 CCNT1 (0.45) SLC15A1CCNT1CDK9ADORA2BCHRM2
SCHEMBL7608539 0.81 CCNT1 (0.45) SLC15A1CCNT1CDK9ADORA2BCHRM2
SCHEMBL7608534 0.81 CCNT1 (0.45) SLC15A1CCNT1CDK9ADORA2BCHRM2
SCHEMBL8580239 0.80 IDO1 (0.38) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8580236 0.80 IDO1 (0.38) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8662326 0.80 IDO1 (0.38) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6950900 0.79 SLC15A1 (0.42) SLC15A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912356-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0630368-B1 ANTIVIRAL NUCLEOSIDE ANALOGUES WELLCOME FOUND (GB) 1998-09-09 EP disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed
EP-0630368-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018009-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-16 WO disclosed