SCHEMBL28050810

SCHEMBL28050810

CC(=O)OCC(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ELANE P08246 2/20 0.47
HTT P42858 2/20 0.46
PLA2G4B P0C869 2/20 0.46
KMT2A Q03164 3/20 0.46
ESR1 P03372 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL8069884 0.85 LMNA (0.55) HSD17B10ALDH1A1ELANEHTTKMT2A
SCHEMBL2907355 0.84 ALDH1A1 (0.50) HSD17B10ALDH1A1ELANEKMT2ASMN1; SMN2
SCHEMBL8069859 0.82 LMNA (0.62) HSD17B10ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL8068275 0.82 LMNA (0.44) HSD17B10ALDH1A1ELANEHTTKMT2A
SCHEMBL8069813 0.81 KMT2A (0.50) HSD17B10ALDH1A1ELANEHTTKMT2A
SCHEMBL28116071 0.81 LMNA (0.43) HSD17B10ALDH1A1HTTKMT2AESR1
SCHEMBL40184 0.79 HSD17B10 (0.88) HSD17B10ALDH1A1CA1CA2ELANE
SCHEMBL15501169 0.79 HSD17B10 (0.58) HSD17B10ALDH1A1CA1CA2ELANE
SCHEMBL3039637 0.78 ALDH1A1 (0.64) HSD17B10ALDH1A1CA1CA2PLA2G4B
SCHEMBL5690655 0.78 KMT2A (0.72) HSD17B10ALDH1A1CA1CA2ELANE

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
CN-105175790-A Cellulose acylate film SK INNOVATION CO LTD 2015-12-23 CN disclosed