SCHEMBL8423145

SCHEMBL8423145

COc1cccc(C(=O)OC(=O)c2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
TSHR P16473 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
HTT P42858 1/20 0.45
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL8423142 0.90 UTS2R (0.47) KCNK3KCNK9HTTABCB1ALDH1A1
SCHEMBL446340 0.87 SLC6A3 (0.60) SLC6A3RAB9ANPC1TSHRKCNK3
SCHEMBL8528111 0.84 KMT2A (0.51) SLC6A3RAB9ANPC1TSHRKCNK3
SCHEMBL6113332 0.82 KMT2A (0.50) SLC6A3RAB9ANPC1TSHRKCNK3
SCHEMBL11068512 0.82 MAPT (0.57) RAB9ANPC1KCNK3KCNK9HTT
SCHEMBL8527418 0.80 CA12 (0.58) SLC6A3RAB9ANPC1TSHRHTT
SCHEMBL27660171 0.80 MAPT (0.48) SLC6A3RAB9ANPC1TSHRKCNK3
SCHEMBL3796962 0.80 GAA (0.54) SLC6A3TSHRKCNK3KCNK9HTT
SCHEMBL29961584 0.80 GAA (0.54) SLC6A3TSHRKCNK3KCNK9HTT
SCHEMBL27426952 0.80 UTS2R (0.47) NPC1KCNK3KCNK9HTTABCB1

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