SCHEMBL6942507

SCHEMBL6942507

CCCCC(/C=C/c1ccccc1)([C@H](C(=O)NOC1CCCCO1)[C@@H](CC(C)C)C(=O)NN)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.32
ADAM17 P78536 1/20 0.31
TGFBR1 P36897 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30
P2RX3 P56373 1/20 0.30
MGLL Q99685 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 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
SCHEMBL6945788 0.94 ADAM17 (0.31) ADAM17P2RX3MGLLMMP2MMP9
SCHEMBL6946721 0.93 ADAM17 (0.32) ADAM17TGFBR1P2RX3MGLLMMP2
SCHEMBL6945554 0.93 ADAM17 (0.33) ADAM17TGFBR1P2RX3MGLLMMP2
SCHEMBL7937084 0.91 ALDH1A1 (0.33) ADAM17P2RX3MGLLMMP2MMP9
SCHEMBL6943876 0.91 ADAM17 (0.31) ADAM17P2RX3MGLLMMP2MMP9
SCHEMBL6942209 0.91 ADAM17 (0.33) ADAM17TGFBR1P2RX3MGLLMMP2
SCHEMBL8111706 0.91 ADAM17 (0.33) ADAM17TGFBR1P2RX3MGLLMMP2
SCHEMBL6943556 0.91 ADAM17 (0.33) ADAM17TGFBR1P2RX3MGLLMMP2
SCHEMBL6943358 0.90 ADAM17 (0.32) ADAM17TGFBR1P2RX3MMP2MMP9
SCHEMBL6946731 0.90 ADAM17 (0.33) ADAM17TGFBR1P2RX3MMP2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed