SCHEMBL25095271

SCHEMBL25095271

CCOC(=O)[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.48
GHSR Q92847 1/20 0.47
PTPRB P23467 3/20 0.46
BCL2 P10415 2/20 0.46
KDM4E B2RXH2 1/20 0.45
P2RX7 Q99572 2/20 0.45
AR P10275 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7988834 0.92 BCL2 (0.55) LMNAALDH1A1TSHRPTPRBBCL2
SCHEMBL25095270 0.90 ALDH1A1 (0.57) LMNAALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL20045974 0.87 PPARG (0.53) ALDH1A1KDM4EPKM
SCHEMBL14803767 0.87 PPARG (0.53) ALDH1A1KDM4EPKM
SCHEMBL7742065 0.86 PTPRB (0.49) ALDH1A1RECQLPTPRB
SCHEMBL31689518 0.84 ALDH1A1 (0.49) LMNAALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL1823039 0.84 P2RX7 (0.59) BCL2KDM4EP2RX7
SCHEMBL31689568 0.84 HDAC3 (0.50) LMNAALDH1A1SMN1; SMN2PTPRBBCL2
SCHEMBL1823041 0.84 P2RX7 (0.59) BCL2KDM4EP2RX7
SCHEMBL20715725 0.83 BCL2 (0.56) PTPRBBCL2

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
WO-2023025861-A1 NEW VASHS INHIBITORS, CONJUGATES THEREOF AND THEIR USES AS DRUGS OR AS RESEARCH TOOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-03-02 WO disclosed