SCHEMBL8672997

SCHEMBL8672997

CCOC(=O)c1ccc(OC(=O)C(N)CC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.59
CYP1A2 P05177 2/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A2 O15244 1/20 0.49
TMPRSS2 O15393 1/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL12229234 0.83 LMNA (0.50) LMNAPRSS1ACRCA1CA2
SCHEMBL7007893 0.82 ELANE (0.66) STSCYP1A2LMNACYP3A4MAOA
SCHEMBL10344282 0.81 PRSS1 (0.69) STSCYP1A2LMNACYP3A4MAOA
SCHEMBL28291255 0.80 CA1 (0.44) LMNACA1CA2MEN1KMT2A
SCHEMBL6559126 0.80 ESR1 (0.42) CYP1A2LMNACYP3A4CA1CA2
SCHEMBL9551955 0.80 PRSS1 (0.64) STSCYP1A2LMNACYP3A4MAOA
SCHEMBL1721471 0.80 CA1 (0.63) STSCYP1A2LMNACYP3A4MAOA
SCHEMBL26804085 0.79 CA1 (0.58) STSCYP1A2LMNACYP3A4MAOA
SCHEMBL16351385 0.78 ATM (0.49) CYP1A2MEN1KMT2AHPGDTDP1
SCHEMBL1176935 0.78 CA12 (0.61) STSCYP1A2LMNACYP3A4MAOA

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-5833880-A MIXTURE POLYMERIZABLE BY FREE RADICAL OR IONIC POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed