SCHEMBL29067307

SCHEMBL29067307

COc1c(F)cc(C(=O)O)cc1C1SCCS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
TPMT P51580 5/20 0.39
PTGS2 P35354 1/20 0.37
PDE5A O76074 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HTR7 P34969 2/20 0.35

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
SCHEMBL30476692 1.00 LMNA (0.42) LMNAMAPK1HTTRAB9ATPMT
SCHEMBL25318666 0.94 LMNA (0.40) LMNAMAPK1HTTRAB9ATPMT
SCHEMBL30903838 0.81 RAB9A (0.49) HTTRAB9APKM
SCHEMBL30903840 0.79 CA12 (0.41) LMNAMAPK1HTTRAB9APTGS2
SCHEMBL29475542 0.78 MLYCD (0.33) TUBB1
SCHEMBL25320728 0.78 MLYCD (0.33) TUBB1
SCHEMBL30903834 0.78 MEN1 (0.47) LMNARAB9AKMT2A
SCHEMBL1458628 0.78 LMNA (0.58) LMNAMAPK1HTTRAB9ATPMT
SCHEMBL22466074 0.77 RAB9A (0.47) HTTRAB9APKM
SCHEMBL29375615 0.77 RAB9A (0.47) HTTRAB9APKM

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
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed