SCHEMBL28875786

SCHEMBL28875786

CCCCCCCC/C=C\CCCCCCCCCC(C)C(C)(C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
SOAT1 P35610 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 2/20 0.49
CNR1 P21554 1/20 0.46
TERT O14746 3/20 0.45
PTPN1 P18031 3/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL6139374 0.90 ACE2 (0.47) TP53PPARDMAPT
Hydrochloric Acid SCHEMBL6865144 0.89 ACE2 (0.46) TP53PPARDMAPT
Hydrochloric Acid SCHEMBL27595662 0.89 ACE2 (0.46) TP53PPARDMAPT
SCHEMBL10601695 0.86 TERT (0.50) FAAHCYP1A2CYP2C19KMT2ACYP3A4
SCHEMBL18092990 0.86 TERT (0.50) FAAHCYP1A2CYP2C19KMT2ACYP3A4
SCHEMBL10882619 0.86 TERT (0.50) FAAHCYP1A2CYP2C19KMT2ACYP3A4
SCHEMBL10882623 0.86 TERT (0.50) FAAHCYP1A2CYP2C19KMT2ACYP3A4
SCHEMBL4171691 0.84 FAAH (0.45) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL21240019 0.83 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28639368 0.83 CA2 (0.50) TP53

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-110186966-A A kind of preparation method and application for the composite material modified electrode detecting lactic acid concn 浙江大学 2019-08-30 CN disclosed