SCHEMBL10696271

SCHEMBL10696271

CCCCOC(=O)ONc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL28463083 0.83 GAA (0.54) TSHRTDP1HPGDLMNARAB9A
SCHEMBL3765824 0.77 RAB9A (0.69) TSHRL3MBTL1HPGDLMNARAB9A
SCHEMBL27360366 0.76 NAPRT (0.50) TSHRRAB9AALDH1A1CYP3A4TP53
Phenol SCHEMBL2362180 0.76 TSHR (0.59) TSHRTDP1L3MBTL1LMNAALDH1A1
SCHEMBL27679770 0.76 TSHR (0.52) TSHRTDP1L3MBTL1HPGDLMNA
SCHEMBL730122 0.75 TSHR (0.56) TSHRTDP1L3MBTL1LMNAALDH1A1
SCHEMBL6237628 0.74 TSHR (0.51) TSHRTDP1L3MBTL1HPGDLMNA
SCHEMBL1625209 0.74 GAA (0.71) TSHRTDP1L3MBTL1HPGDLMNA
SCHEMBL21569218 0.74 SOAT2 (0.51) ALDH1A1
SCHEMBL8670309 0.74 SOAT2 (0.51) ALDH1A1

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
EP-0254853-A2 Lithographic method employing thermally stable photoresists with high sensitivity forming a hydogen-bonded network International Business Machines Corporation (US) 1988-02-03 EP disclosed