SCHEMBL7093094

SCHEMBL7093094

CCCCC(CC(C)CC)O[C]=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MAPK1 P28482 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
SCHEMBL3038402 0.89
SCHEMBL3037264 0.85 CTSK (0.41) CTSK
SCHEMBL7095277 0.83 CTSK (0.30) CTSK
SCHEMBL4138235 0.82 TSHR (0.37) CTSKCA2CA1TSHRSMN1; SMN2
SCHEMBL3034854 0.82 DNM1 (0.35) CTSKCA2CA1TSHRSMN1; SMN2
SCHEMBL7098028 0.81 MAPT (0.32)
SCHEMBL8697461 0.78 MAPT (0.38) CA2CA1
SCHEMBL3034650 0.78 CTSK (0.36) CTSKCA2CA1TSHRSMN1; SMN2
SCHEMBL3044333 0.77 TSHR (0.33) TSHR
SCHEMBL8698384 0.77 CTSK (0.31) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed