SCHEMBL14217435

SCHEMBL14217435

CCC(C)(OC)C(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NOTUM Q6P988 1/20 0.45
CYP4A11 Q02928 2/20 0.45
RAB9A P51151 2/20 0.44
CYP4F2 P78329 1/20 0.44
NPC1 O15118 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
SCHEMBL19102092 0.91 CES1 (0.41) MAPTCA1CA2TDP1CA12
SCHEMBL19262591 0.84 ALDH1A1 (0.47) CA1CA2MEN1KMT2ATSHR
SCHEMBL19412813 0.83 MAPT (0.47) MAPTCA1CA2TDP1CA12
SCHEMBL20135443 0.79 CA1 (0.55) MAPTCA1CA2TDP1CA12
SCHEMBL6919651 0.79 CA1 (0.59) MAPTCA1CA2TDP1CA12
SCHEMBL13838707 0.78 TAS1R3 (0.43) CA1CA2TDP1ALDH1A1
SCHEMBL21765312 0.78 TSHR (0.41) MAPTCA1CA2TDP1CA12
SCHEMBL20135405 0.77 CA1 (0.57) MAPTCA1CA2TDP1CA12
SCHEMBL13713512 0.76 MAPT (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL1794289 0.76 MAPT (0.56) MAPTCA1CA2TDP1CA12

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-20080102394-A1 METHOD OF PREPARING RESIN COMPOSITION OF TONER AND TONER COMPOSITION HAVING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-01 US disclosed