SCHEMBL10834859

SCHEMBL10834859

CCCCCC(CO)CCCCC(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.77
ALDH1A1 P00352 1/20 0.56
OPRM1 P35372 1/20 0.42
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
TP53 P04637 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
CA1 P00915 2/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL17627170 0.98 LMNA (0.82) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL8151154 0.98 LMNA (0.82) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL10835332 0.96 LMNA (0.78) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL26606835 0.96 LMNA (0.78) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL17526855 0.95 LMNA (0.70) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL32681706 0.93 LMNA (0.74) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL17526954 0.93 LMNA (0.74) LMNAALDH1A1OPRM1CYP2D6SPHK1
Octyldodecanol SCHEMBL16004983 0.92 LMNA (0.72) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL10835450 0.91 LMNA (0.78) LMNAALDH1A1OPRM1CYP2D6SPHK1
SCHEMBL17526784 0.91 LMNA (0.62) LMNAALDH1A1OPRM1CYP2D6SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161251-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-11-21 EP claimed
WO-1985002175-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-05-23 WO claimed
US-4518809-A BRANCHING, DETERGENTS, BIODEGRADATION MONSANTO COMPANY (US) 1985-05-21 US claimed
US-4426542-A HYDROFORMYLATION, ALDOL CONDENSATION, HYDROGENATION MONSANTO COMPANY (US) 1984-01-17 US claimed
EP-0094456-A1 Preparation of alcohols from olefins having from 3 to 7 carbon atoms MONSANTO COMPANY (US) 1983-11-23 EP claimed
US-4598162-A Detergent range aldehyde and alcohol mixtures and derivatives, and process therefor MONSANTO COMPANY (US) 1986-07-01 US disclosed
US-4518809-A BRANCHING, DETERGENTS, BIODEGRADATION MONSANTO COMPANY (US) 1985-05-21 US disclosed
US-4426542-A HYDROFORMYLATION, ALDOL CONDENSATION, HYDROGENATION MONSANTO COMPANY (US) 1984-01-17 US disclosed
EP-0094456-A1 Preparation of alcohols from olefins having from 3 to 7 carbon atoms MONSANTO COMPANY (US) 1983-11-23 EP disclosed