SCHEMBL6799194

SCHEMBL6799194

Cc1cc(C)c2c(c1)C(O)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 1.00
KDM4C Q9H3R0 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
BRD3 Q15059 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.32
PGR P06401 1/20 0.31
ELAVL1 Q15717 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
SCHEMBL1508636 0.90 UGT2B17 (0.82) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL10286363 0.84 UGT2B17 (0.72) UGT2B17TAS1R3TAS1R1TAS1R2CYP11B1
SCHEMBL22222496 0.78 UGT2B17 (0.64) UGT2B17KDM4CSIGMAR1PSMB5
SCHEMBL5272877 0.77 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL703510 0.77 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL30831935 0.77 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL15286569 0.77 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1GAA
Hydrochloric Acid SCHEMBL1976240 0.76 UGT2B17 (0.61) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL5173559 0.75 UGT2B17 (0.60) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL12014020 0.73 UGT2B17 (0.58) UGT2B17TAS1R3TAS1R1TAS1R2CYP11B1

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-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US claimed