SCHEMBL7855809

SCHEMBL7855809

CCCCCC(C(=O)C(CCCCC)c1ccc(O)cc1O)c1ccc(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.48
TYR P14679 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 1/20 0.42
HSP90AB1 P08238 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HSD17B3 P37058 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9419226 0.95 HTT (0.47) HTTKDM4ETYRMEN1TP53
SCHEMBL31545402 0.81 TYR (0.50) HTTKDM4ETYRMEN1TP53
SCHEMBL10404681 0.81 HSP90AB1 (0.47) HTTKDM4ETYRTSHRHSP90AB1
SCHEMBL31544881 0.80 TYR (0.53) HTTKDM4ETYRMEN1TP53
SCHEMBL70058 0.79 TYR (0.51) HTTKDM4ETYRMEN1TP53
SCHEMBL22068259 0.79 TYR (0.47) HTTKDM4ETYRMEN1TP53
SCHEMBL7772658 0.79 CNR2 (0.38) HTTTYRMEN1MAPTKMT2A
SCHEMBL5274961 0.78 HTT (0.44) HTTKDM4ETYRMEN1TP53
SCHEMBL8824081 0.77 NAAA (0.46) HTTKDM4ETYRMEN1TP53
SCHEMBL3836152 0.77 NAAA (0.46) HTTKDM4ETYRMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496640-B2 I-ray sensitive positive resist composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 2001-09-19 EP disclosed
EP-0496640-B1 I-ray sensitive positive resist composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1997-06-11 EP disclosed
US-5413896-A Light sensitive element with novolak resin and quinonediazide compounds JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1995-05-09 US disclosed
EP-0496640-A1 I-ray sensitive positive resist composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-07-29 EP disclosed