SCHEMBL4840901

SCHEMBL4840901

COC(=O)c1cc(C)c(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3OC)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.39
MAPT P10636 3/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.35
MAPK1 P28482 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PTGER3 P43115 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL4840464 0.94 TRPA1 (0.39) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4838499 0.94 TRPA1 (0.37) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4837504 0.94 TRPA1 (0.36) TRPA1MMP1MMP9MMP13ADAM17
SCHEMBL4839596 0.92 POLB (0.36) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4832976 0.92 MAPT (0.39) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4838813 0.92 MMP8 (0.40) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4840502 0.89 MAPT (0.39) TRPA1MAPTPOLBRORCMAPK1
SCHEMBL4839598 0.88 MAPT (0.39) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4845391 0.88 TRPA1 (0.37) TRPA1MMP1MMP9MMP13ADAM17
SCHEMBL4841609 0.88 TRPA1 (0.36) TRPA1MAPTMMP1MMP9MMP13

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed