SCHEMBL9836875

SCHEMBL9836875

NS(=O)(=O)C(=Cc1ccccc1)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
MME P08473 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA4 P22748 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PAM P19021 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38

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
SCHEMBL28675711 0.84 RECQL (0.51) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL11535887 0.80 KDM1A (0.44) RECQLCA1CA2CA7CA4
SCHEMBL11535891 0.80 KDM1A (0.44) RECQLCA1CA2CA7CA4
SCHEMBL11570549 0.77 HPGD (0.46) CA1CA2CA7CA4CYP2C9
SCHEMBL27040809 0.72 AKR1C3 (0.43) CA1CA2CA7CA4AKR1C3
SCHEMBL12946135 0.72 RECQL (0.60) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL11571818 0.72 MME (0.56) RECQLMMECA1CA2CA7
SCHEMBL11571823 0.72 MME (0.56) RECQLMMECA1CA2CA7
SCHEMBL5152618 0.72 AKR1C3 (0.48) CA1CA2CA7CA4AKR1C3
SCHEMBL5152623 0.72 AKR1C3 (0.48) CA1CA2CA7CA4AKR1C3

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-5015284-A Herbicides or plant growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed