SCHEMBL7523926

SCHEMBL7523926

C=C(C)C(=O)OCCCCOc1ccccc1.C=C(CCC)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7521253 0.95 TDP1 (0.42) TDP1POLBAPEX1HTTNPC1
SCHEMBL7251881 0.87 POLB (0.36) TDP1POLBAPEX1HTTNPC1
SCHEMBL7529002 0.85 TDP1 (0.41) TDP1POLBAPEX1HTTNPC1
SCHEMBL7526587 0.79 RAB9A (0.37) NPC1RAB9AHPGDTSHRALDH1A1
SCHEMBL4577427 0.79 TDP1 (0.73) TDP1POLBAPEX1HTTTSHR
SCHEMBL8038704 0.78 HTT (0.76) TDP1POLBAPEX1HTTTSHR
SCHEMBL8038669 0.78 HTT (0.76) TDP1POLBAPEX1HTTTSHR
SCHEMBL1404303 0.76 TDP1 (0.68) TDP1POLBAPEX1HTTRAB9A
SCHEMBL9400724 0.76 TSHR (0.64) TDP1POLBAPEX1HTTTSHR
SCHEMBL632277 0.75 NAAA (0.50) HTTALDH1A1SMN1; SMN2MAPTLMNA

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-20020039701-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-04 US disclosed