SCHEMBL8762146

SCHEMBL8762146

C=C(C)COCC(O)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.36
HTR1A P08908 2/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ABCB1 P08183 2/20 0.32
DNM1 Q05193 2/20 0.32
CYP2D6 P10635 2/20 0.31
CDK4 P11802 2/20 0.31
CYP1A2 P05177 1/20 0.31
CDK2 P24941 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
SCHEMBL8763293 0.83 HTT (0.32) LMNAHTT
SCHEMBL201963 0.83 KDM4E (0.34) CYP2D6
Trimethylammonium SCHEMBL676966 0.82 HSD17B10 (0.32)
SCHEMBL8763177 0.81 LMNA (0.43) LMNAABCB1
SCHEMBL4576292 0.81 ALDH1A1 (0.36) ALDH1A1ABCB1
SCHEMBL347663 0.81 KDM4E (0.38) CYP2D6
SCHEMBL347384 0.80 HIF1A (0.47) HIF1ALMNASMN1; SMN2HTTHTR1A
SCHEMBL8764055 0.79 ALDH1A1 (0.38) LMNAALDH1A1
Trimethylammonium SCHEMBL1302594 0.78
Trimethylammonium SCHEMBL1301733 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783589-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL Kao Corporation (JP) 1997-07-16 EP disclosed
WO-1996010093-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL KAO CORPORATION (JP) 1996-04-04 WO disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 US disclosed