SCHEMBL7076170

SCHEMBL7076170

CC(C)C[C@@H](C(=O)NN(c1ccccc1)S(C)(=O)=O)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 2/20 0.48
MMP8 P22894 3/20 0.46
TSHR P16473 1/20 0.43
FCER2 P06734 4/20 0.41
ANPEP P15144 1/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 3/20 0.41
MMP3 P08254 2/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL6939992 0.92 ADAM17 (0.41) MMP1MMP13ADAM17MMP8TSHR
SCHEMBL6941765 0.87 ADAM17 (0.52) MMP1MMP13ADAM17MMP8FCER2
SCHEMBL6941577 0.83 MMP1 (0.50) MMP1MMP13ADAM17MMP8TSHR
SCHEMBL6945858 0.81 ADAM17 (0.57) MMP1MMP13ADAM17MMP8MMP2
SCHEMBL6940214 0.80 ADAM17 (0.48) MMP1MMP13ADAM17MMP8FCER2
SCHEMBL6940945 0.80 ADAM17 (0.75) MMP1MMP13ADAM17MMP8FCER2
SCHEMBL6939522 0.79 MMP1 (0.47) MMP1MMP13MMP8TSHRFCER2
SCHEMBL6939528 0.79 MMP1 (0.47) MMP1MMP13MMP8TSHRFCER2
SCHEMBL6940260 0.78 MMP2 (0.56) MMP1MMP13ADAM17MMP8FCER2
SCHEMBL6939949 0.78 ADAM17 (0.47) MMP1MMP13ADAM17MMP8FCER2

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