SCHEMBL9436665

SCHEMBL9436665

O=C(OCC(CO)(CO)CO)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL1002086 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL813200 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL813176 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL2847821 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL10099680 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL2051184 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL11401782 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL16255469 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL14076147 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL16981966 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5366961-A Insecticides COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-11-22 US disclosed
EP-0543886-A4 PESTICIDAL PRODUCTS 1993-11-18 EP disclosed
EP-0543886-A1 PESTICIDAL PRODUCTS. COMMW SCIENT IND RES ORG (AU) 1993-06-02 EP disclosed
WO-1992003048-A1 PESTICIDAL PRODUCTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1992-03-05 WO disclosed
US-4212816-A BY CYCLOHEXYL CARBOXYLIC ACID, ISOSTEARIC ACID AND A SATURATED ALIPHATIC ACID; SYNTHETIC LUBRICANT OF HIGH VISCOSITY INDEX BAYER AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed