SCHEMBL8423142

SCHEMBL8423142

COc1cccc(C(=O)OC(=O)c2cccc(OC)c2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ABCB1 P08183 1/20 0.47
CTSD P07339 1/20 0.44
HTT P42858 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL8423145 0.90 SLC6A3 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29961584 0.89 GAA (0.54) CTSDHTTKCNK3KCNK9KDM4E
SCHEMBL3796962 0.89 GAA (0.54) CTSDHTTKCNK3KCNK9KDM4E
SCHEMBL27426952 0.89 UTS2R (0.47) UTS2RCA12CA1CA2CA7
SCHEMBL698393 0.82 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL29959614 0.82 HTT (0.59) CA12CA1CA2CA7CA9
SCHEMBL311839 0.82 HTT (0.59) CA12CA1CA2CA7CA9
SCHEMBL446339 0.82 HPGD (0.59) CTSDHTTESR1ESR2KCNK3
SCHEMBL13089201 0.81 HMGCR (0.50) CA12CA1CA2CA7CA9
SCHEMBL28346490 0.81 MAPT (0.56) HTTESR1ESR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638545-B1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM & HAAS (US) 1999-10-13 EP claimed
EP-0638545-A1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM AND HAAS COMPANY (US) 1995-02-15 EP claimed
EP-0638545-B1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM & HAAS (US) 1999-10-13 EP disclosed
EP-0638545-A1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM AND HAAS COMPANY (US) 1995-02-15 EP disclosed