SCHEMBL10844764

SCHEMBL10844764

CCCC[C@H]1CC[C@H](C2CCC(CCCC(=O)O)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
ALOX5 P09917 1/20 0.51
AKR1B1 P15121 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47

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
SCHEMBL10954545 1.00 MAPT (0.61) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10954550 1.00 MAPT (0.61) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL11194748 0.95 ALOX5 (0.59) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL11194751 0.95 ALOX5 (0.59) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10845857 0.95 ALOX5 (0.59) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10845623 0.93 ALOX5 (0.62) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10953909 0.93 MAPT (0.58) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10844626 0.93 MAPT (0.58) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL10953905 0.93 MAPT (0.58) MAPTALOX5AKR1B1GPR84PPARG
SCHEMBL11196727 0.93 ALOX5 (0.62) MAPTALOX5AKR1B1GPR84PPARG

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-4617140-A Bicyclohexyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed