SCHEMBL10835537

SCHEMBL10835537

CCCCCC(CO)CC(C)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 3/20 0.56
ACE2 Q9BYF1 1/20 0.41
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL28426464 0.96 LMNA (0.68) LMNAALDH1A1ACE2TSHRCYP2D6
SCHEMBL28897126 0.96 LMNA (0.68) LMNAALDH1A1ACE2TSHRCYP2D6
SCHEMBL11655949 0.96 LMNA (0.68) LMNAALDH1A1ACE2TSHRCYP2D6
SCHEMBL29020600 0.88 ALDH1A1 (0.56) LMNAALDH1A1TSHRCYP2D6SPHK1
SCHEMBL4278673 0.87 LMNA (0.46) LMNAALDH1A1ACE2TSHRSPHK1
SCHEMBL4271740 0.87 LMNA (0.46) LMNAALDH1A1ACE2TSHRSPHK1
SCHEMBL4271869 0.87 LMNA (0.46) LMNAALDH1A1ACE2TSHRSPHK1
SCHEMBL10834581 0.86 LMNA (0.59) LMNAALDH1A1ACE2TSHRCYP2D6
SCHEMBL10988102 0.86 ALDH1A1 (0.48) LMNAALDH1A1ACE2TSHRBLM
SCHEMBL29048802 0.85 ALDH1A1 (0.64) LMNAALDH1A1TSHRCYP2D6SPHK1

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
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
EP-0161251-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-11-21 EP disclosed
WO-1985002175-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-05-23 WO 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