SCHEMBL5570893

SCHEMBL5570893

C=C[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 7/20 0.43
▸ MCL1 Q07820 6/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ ADAM17 P78536 3/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ MMP15 P51511 1/20 0.38

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
SCHEMBL4791746 0.89 BCL2 (0.44) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL1014380 0.89 BCL2 (0.44) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL1012010 0.87 F10 (0.46) BCL2L1MCL1FAAHCNR2POLB
Hydrochloric Acid SCHEMBL1013874 0.86 F10 (0.45) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL1015026 0.85 BCL2L1 (0.44) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL1015028 0.85 BCL2L1 (0.44) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL14277999 0.85 POLB (0.46) BCL2L1MCL1FAAHCNR2POLB
SCHEMBL14364445 0.84 MMP1 (0.37) BCL2L1MCL1FAAHCNR2POLB
Hydrochloric Acid SCHEMBL5112794 0.84 BCL2L1 (0.43) BCL2L1MCL1FAAHCNR2POLB
Hydrochloric Acid SCHEMBL5106017 0.84 BCL2L1 (0.43) BCL2L1MCL1FAAHCNR2POLB

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
WO-2007120595-A2 AMINES FOR THE TREATMENT OF HCV NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
Send feedback