SCHEMBL9690190

SCHEMBL9690190

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
MAPT P10636 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
PLK1 P53350 1/20 0.49
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
PKM P14618 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL10888588 0.86 KDM4E (0.55) NPC1RAB9ASMN1; SMN2PKM
SCHEMBL9692672 0.84 TDP1 (0.50) MAPTCES2CES1NPC1RAB9A
SCHEMBL10887104 0.84 SRD5A2 (0.49) MAPTPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL9836428 0.83 ADRB2 (0.43) CA1CA2MAPTCES2CES1
SCHEMBL9836286 0.83 KMT2A (0.43) CA1CA2MAPTCES2CES1
SCHEMBL9691565 0.83 L3MBTL1 (0.46) CA1CA2MAPTCES2CES1
SCHEMBL9692286 0.82 KMT2A (0.50) MAPTNPC1RAB9ASMN1; SMN2ADRB2
SCHEMBL10890631 0.80 ALDH1A1 (0.47) MAPTPLK1NPC1RAB9ASMN1; SMN2
SCHEMBL10888145 0.80 PDCD1 (0.46) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11646081 0.79 BCL2L1 (0.44) MAPTCES2CES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed