SCHEMBL5481259

SCHEMBL5481259

CC(C)(C)c1ccc(C(C(C(=O)c2ccccc2)c2ccccc2)C(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.44
LMNA P02545 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
ESRRG P62508 2/20 0.42
RAB9A P51151 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
EPHX1 P07099 5/20 0.42
TNF P01375 1/20 0.41

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
SCHEMBL29719387 0.85 TDP1 (0.59) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL6758776 0.79 ALDH1A1 (0.68) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL6512247 0.79 NR1H4 (0.54) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL7041252 0.78 TDP1 (0.49) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL4331474 0.76 ALDH1A1 (0.68) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL28830240 0.75 LMNA (0.65) TDP1L3MBTL1ALDH1A1PTPN1LMNA
SCHEMBL7930303 0.75 KMT2A (0.55) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL30530198 0.73 HPGDS (0.61) ALDH1A1LMNASMN1; SMN2KCNK9ESRRG
SCHEMBL29240033 0.73 PTPN1 (0.67) PTPN1ESRRGEPHX1
SCHEMBL29110252 0.73 APAF1 (0.50) TDP1L3MBTL1MAPTALDH1A1TSHR

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-20070224436-A1 Film forming composition FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed