SCHEMBL6942696

SCHEMBL6942696

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1ccccc1)(c1nc2ccccc2s1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
MMP1 P03956 2/20 0.35
FCER2 P06734 1/20 0.35
FSCN1 Q16658 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
PTPN1 P18031 1/20 0.33
GLO1 Q04760 3/20 0.33
HPGD P15428 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL6940960 0.85 TP53 (0.31) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL6945653 0.80 ADAM17 (0.45) ADAM17MMP1FCER2LMNAMMP2
SCHEMBL8107345 0.78 ADAM17 (0.41) ADAM17MMP1ALDH1A1LMNAMMP2
SCHEMBL6945777 0.78 ADAM17 (0.47) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6941579 0.77 ADAM17 (0.46) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6947691 0.77 ADAM17 (0.40) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL4481740 0.76 ADAM17 (0.46) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6942610 0.76 ADAM17 (0.46) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6939409 0.76 ADAM17 (0.46) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6941767 0.76 ADAM17 (0.46) ADAM17MMP1FCER2MMP2MMP3

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