SCHEMBL27147707

SCHEMBL27147707

C[C@H](CCCc1ccc(S(=O)(=O)O)cc1)OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
PKM P14618 1/20 0.34
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL27131627 1.00 FKBP1A (0.37) FKBP1ACA2CA12CA1CA9
SCHEMBL10452369 0.93 CA2 (0.37) CA2CA12CA1CA9LMNA
SCHEMBL9628663 0.74 KMT2A (0.39) CA2CA12CA1CA9MMP1
SCHEMBL8602508 0.74 MEN1 (0.33) HSD17B10MGLLGAAKDM4EMAPT
SCHEMBL27131193 0.73 KDM4E (0.33) LMNAHSD17B10KDM4EMAPTMAPK1
SCHEMBL8564925 0.73 RAB9A (0.37) HSD17B10MGLLGAAKDM4EMAPT
SCHEMBL9626662 0.73 SLC12A2 (0.37) CA12CA1CA9LMNAHSD17B10
SCHEMBL27032127 0.73 SLC12A2 (0.37) CA12CA1CA9LMNAHSD17B10
SCHEMBL27031979 0.73 SLC12A2 (0.37) CA12CA1CA9LMNAHSD17B10
SCHEMBL27130489 0.73 SLC12A2 (0.37) CA12CA1CA9LMNAHSD17B10

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
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed