SCHEMBL5064752

SCHEMBL5064752

C=Cc1ccccc1C(=O)OCCCCCO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
ALDH1A1 P00352 8/20 0.53
LMNA P02545 3/20 0.53
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 3/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CNR2 P34972 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL1896572 0.88 CYP3A4 (0.50) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL4906506 0.87 ALDH1A1 (0.72) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL4894269 0.85 TSHR (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL684368 0.84 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL21143371 0.84 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1813573 0.84 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1397837 0.84 TSHR (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1900819 0.82 TSHR (0.57) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1308818 0.82 TSHR (0.70) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL31657765 0.82 TSHR (0.70) TSHRALDH1A1LMNACYP3A4MAPK1

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
US-20080160449-A1 Photoresist polymer having nano-smoothness and etching resistance, and resist composition LION CORPORATION (JP) 2008-07-03 US disclosed