SCHEMBL27839265

SCHEMBL27839265

C=C(C)C(=O)OC=CCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
ELANE P08246 1/20 0.41
GPR174 Q9BXC1 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
PPARG P37231 2/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 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
SCHEMBL16518524 0.88 HTT (0.40) ELANEGPR174POLBAPEX1HTT
SCHEMBL16518475 0.88 HTT (0.40) ELANEGPR174POLBAPEX1HTT
SCHEMBL8627217 0.87 HTT (0.56) ELANEPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL10790972 0.86 HTT (0.54) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19560293 0.83 HTT (0.36) ELANEGPR174POLBAPEX1HTT
SCHEMBL19560360 0.83 HTT (0.36) ELANEGPR174POLBAPEX1HTT
SCHEMBL13834343 0.78 MAOB (0.44) ELANEMAOB
SCHEMBL10875082 0.77 LMNA (0.42) ELANEGPR174TDP1NPC1RAB9A
SCHEMBL9615546 0.77 TDP1 (0.47) AOC3ELANEGPR174POLBAPEX1
SCHEMBL299827 0.76 ELANE (0.41) ELANEPOLBAPEX1HTTTDP1

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-102008394-A Strengthened binding agent for dental department YUANYUAN ZHANG 2011-04-13 CN disclosed