SCHEMBL30005315

SCHEMBL30005315

COC(=O)Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.53
LMNA P02545 6/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 3/20 0.50
HTT P42858 3/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL30005867 0.88 TRPV4 (0.54) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005853 0.84 TRPV4 (0.57) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30006605 0.84 TRPV4 (0.57) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005576 0.84 TRPV4 (0.55) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005407 0.82 HTT (0.55) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005706 0.82 ALDH1A1 (0.66) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30006441 0.81 MAPT (0.60) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL23217100 0.80 MAPT (0.70) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005897 0.80 ALDH1A1 (0.55) TRPV4LMNAMAPTSMN1; SMN2GAA
SCHEMBL30005773 0.80 TRPV4 (0.50) TRPV4LMNAMAPTSMN1; SMN2GAA

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed