SCHEMBL10835263

SCHEMBL10835263

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7898326 0.85 TSHR (0.41) TSHRFAAHTRPV1ALDH1A1ACE2
SCHEMBL9146162 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1ACE2
SCHEMBL1410797 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1ACE2
SCHEMBL10835348 0.83 TSHR (0.47) TSHRFAAHTRPV1ACE2MAPT
SCHEMBL11559831 0.82 TSHR (0.50) TSHRALDH1A1ACE2CHRM1AKR1A1
SCHEMBL27650334 0.81 TSHR (0.33) TSHRMAPT
SCHEMBL7093722 0.79 TSHR (0.33) TSHRALDH1A1MAPT
SCHEMBL6674994 0.79 BHMT (0.41) TSHRHIF1A
SCHEMBL1262418 0.79 ALDH1A1 (0.41) TSHRFAAHTRPV1ALDH1A1MAPT
SCHEMBL1410507 0.78 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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