SCHEMBL7804858

SCHEMBL7804858

CCCC=CC(C=C(C)C)CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL19624099 0.79 MEN1 (0.35) MEN1CYP3A4KMT2A
SCHEMBL9718012 0.73 TSHR (0.38) MEN1CYP3A4KMT2ATAS1R3TAS1R1
SCHEMBL9718014 0.73 TSHR (0.38) MEN1CYP3A4KMT2ATAS1R3TAS1R1
SCHEMBL28448348 0.72 MEN1 (0.32) MEN1CYP3A4KMT2A
SCHEMBL1305535 0.71 MEN1 (0.50) MEN1CYP3A4KMT2A
SCHEMBL1305538 0.71 MEN1 (0.50) MEN1CYP3A4KMT2A
SCHEMBL8445029 0.67
SCHEMBL8445030 0.67
SCHEMBL164211 0.66
SCHEMBL28623125 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
EP-0527378-B1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF AG (DE) 1996-02-28 EP disclosed
EP-0527378-A1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed