SCHEMBL5164935

SCHEMBL5164935

C=CCOC(=O)OC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SOAT1 P35610 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL194711 0.84
SCHEMBL47912 0.84 CYP3A4 (0.45) TSHRSOAT1TDP1CYP3A4SMN1; SMN2
SCHEMBL7096132 0.83 SOAT1 (0.65) TSHRSOAT1TDP1CYP3A4SMN1; SMN2
Methane SCHEMBL27480384 0.82
Hydrochloric Acid SCHEMBL27874012 0.82
Ethylene SCHEMBL7133194 0.82 TSHR (0.57) TSHRTDP1CYP3A4SMN1; SMN2PKM
Water SCHEMBL28111613 0.82
Ammonia Solution, Strong SCHEMBL4793964 0.82
SCHEMBL9110969 0.81 CYP3A4 (0.43) TSHRSOAT1TDP1CYP3A4SMN1; SMN2
SCHEMBL3993425 0.80 TSHR (0.41) TSHRSOAT1TDP1CYP3A4SMN1; SMN2

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-20070076072-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed
EP-1770131-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJIFILM Corporation (JP) 2007-04-04 EP disclosed
EP-0888533-A4 PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC CALIFORNIA INST OF TECHN (US) 1999-07-28 EP disclosed
EP-0888533-A1 PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-01-07 EP disclosed
WO-1997035182-A1 PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-09-25 WO disclosed