SCHEMBL9493972

SCHEMBL9493972

CSc1ccc(C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
AKR1C3 P42330 4/20 0.53
AKR1C2 P52895 4/20 0.53
ACACB O00763 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A4 P31645 1/20 0.44
PLK1 P53350 1/20 0.44
FPR2 P25090 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KIF11 P52732 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 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
SCHEMBL23053348 0.81 LMNA (0.56) AKR1C3AKR1C2ACACBMEN1KMT2A
SCHEMBL2810556 0.81 LMNA (0.56) AKR1C3AKR1C2ACACBMEN1KMT2A
SCHEMBL3672650 0.81 AKR1C3 (0.71) AKR1C3AKR1C2ACACBFPR2ALDH1A1
SCHEMBL271988 0.81 SRC (0.78) SRCAKR1C3AKR1C2MEN1KMT2A
SCHEMBL28846111 0.79 AKR1C3 (0.50) AKR1C3AKR1C2ACACBMEN1KMT2A
SCHEMBL11686501 0.79 SLC6A4 (0.50) AKR1C3AKR1C2ACACBMEN1KMT2A
Hydrochloric Acid SCHEMBL11360245 0.76 AKR1C3 (0.51) AKR1C3AKR1C2ACACBMEN1KMT2A
SCHEMBL11835319 0.76 LMNA (0.50) AKR1C3AKR1C2ACACBSLC6A4PLK1
SCHEMBL1624921 0.76 SLC6A4 (0.52) AKR1C3AKR1C2MEN1KMT2ASLC6A4
SCHEMBL11844893 0.75 AKR1C3 (0.50) AKR1C3AKR1C2ACACBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed