SCHEMBL7940341

SCHEMBL7940341

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.32
NPSR1 Q6W5P4 3/20 0.31
F2 P00734 3/20 0.31
JAK2 O60674 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR4 O95977 1/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 2/20 0.30
NTSR1 P30989 1/20 0.30

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
SCHEMBL6940907 0.89 ADAM17 (0.33) LMNAHTTKMT2ATP53MAPT
SCHEMBL6946167 0.82 NAMPT (0.35) MAPK1
SCHEMBL6945267 0.82 TGFBR1 (0.32)
SCHEMBL6940940 0.80 ADAM17 (0.35) LMNAHTTKMT2ATP53MAPT
SCHEMBL6942799 0.79 ADAM17 (0.34) LMNAHTTKMT2AMAPT
SCHEMBL6946939 0.76 MAOA (0.39) F10NPSR1LMNAMAPTNTSR1
SCHEMBL6942114 0.76 MGLL (0.30)
SCHEMBL6939572 0.76 PPARA (0.32)
SCHEMBL7127180 0.75 LMNA (0.33) F10NPSR1JAK2LMNAHPGD
SCHEMBL6942707 0.75 CTSC (0.35) LMNAHTTKMT2AMAPT

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-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed