SCHEMBL8138472

SCHEMBL8138472

C#Cc1cccc2c1C(=O)OC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 9/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32
NR3C1 P04150 2/20 0.31
CYP1A2 P05177 2/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8130790 0.80 CREBBP (0.39) CREBBPALDH1A1TSHRTDP1L3MBTL1
SCHEMBL24294099 0.78 ALDH1A1 (0.38) ALDH1A1HTTCYP1A2CYP3A4NPC1
SCHEMBL8691877 0.76 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4
SCHEMBL27379681 0.75 TSHR (0.38) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL2863441 0.75 L3MBTL1 (0.42) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL29828705 0.74 IDO1 (0.40) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL620203 0.74 IDO1 (0.40) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL24294058 0.72 ACACB (0.34) TDP1L3MBTL1CYP1A2
SCHEMBL23655043 0.71 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1HTTMAPK1
SCHEMBL4371605 0.71 ALDH1A1 (0.37) ALDH1A1TSHRTDP1L3MBTL1HTT

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-0657441-B1 Cyclic acetals, processes for their production and conversion into herbicides BASF AG (DE) 2000-03-01 EP disclosed
US-5777118-A PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5569640-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
EP-0657441-A2 Cyclic acetals, processes for their production and conversion into herbicides BASF Aktiengesellschaft (DE) 1995-06-14 EP disclosed