SCHEMBL9692672

SCHEMBL9692672

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL9691565 0.84 L3MBTL1 (0.46) ALDH1A1L3MBTL1LMNACES2CES1
SCHEMBL9690190 0.84 CA1 (0.52) CES2CES1ADRB2ADRB1ADRB3
SCHEMBL9836428 0.84 ADRB2 (0.43) ALDH1A1GAALMNACES2CES1
SCHEMBL9836286 0.84 KMT2A (0.43) TDP1ALDH1A1L3MBTL1LMNACES2
SCHEMBL9692286 0.84 KMT2A (0.50) TDP1ALDH1A1GAALMNAADRB2
SCHEMBL10888145 0.81 PDCD1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL10890631 0.81 ALDH1A1 (0.47) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL11646081 0.80 BCL2L1 (0.44) GAALMNACES2CES1ADRB2
SCHEMBL10887104 0.79 SRD5A2 (0.49) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL9692221 0.79 CXCR1 (0.49) ALDH1A1LMNAADRB3HPGDSMN1; SMN2

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 7 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
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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