SCHEMBL28031697

SCHEMBL28031697

CCCCCC(C)CCC(C)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
LMNA P02545 2/20 0.48
OPRM1 P35372 1/20 0.44
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PTPN1 P18031 1/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.35
ADH1B P00325 1/20 0.34

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
SCHEMBL27753327 0.95 LMNA (0.55) ACE2LMNAOPRM1PRKD3PRKCG
SCHEMBL1873151 0.95 OPRM1 (0.48) ACE2LMNAOPRM1PRKD3PRKCG
SCHEMBL671349 0.92 ACE2 (0.48) ACE2LMNAOPRM1SPHK1DNM1
SCHEMBL27223056 0.92 ACE2 (0.48) ACE2LMNAOPRM1SPHK1DNM1
SCHEMBL27196676 0.92 ACE2 (0.48) ACE2LMNAOPRM1SPHK1DNM1
SCHEMBL4271879 0.92 ACE2 (0.48) ACE2LMNAOPRM1SPHK1DNM1
SCHEMBL4274565 0.92 ACE2 (0.48) ACE2LMNAOPRM1SPHK1DNM1
SCHEMBL9530349 0.91 LMNA (0.50) ACE2LMNAOPRM1PRKD3PRKCG
SCHEMBL27345411 0.90 OPRM1 (0.44) ACE2LMNAOPRM1PRKD3PRKCG
SCHEMBL27223874 0.88 ACE2 (0.45) ACE2LMNAOPRM1PRKD3PRKCG

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
CN-103149294-B Based on the apple label organism migration assay method of GC-MS SHANGHAI JINSHAN DISTRICT YOUTH ACTIVITY CENTER (CN) 2015-08-05 CN disclosed