SCHEMBL6944594

SCHEMBL6944594

CC(C)C[C@@H](C(=O)NNc1ccccc1)[C@H](CCCc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.44
MMP3 P08254 6/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL6940310 0.86 MMP3 (0.44) MMP2MMP3GAASMN1; SMN2LMNA
SCHEMBL6986672 0.73 MMP1 (0.44) MMP3MMP1MMP13MMP8
SCHEMBL7853162 0.71 MMP1 (0.46) MMP3MMP1MMP13MMP8MAPT
SCHEMBL7853167 0.71 MMP1 (0.46) MMP3MMP1MMP13MMP8MAPT
SCHEMBL7836454 0.71 MMP1 (0.46) MMP3MMP1MMP13MMP8MAPT
SCHEMBL7827850 0.71 MMP1 (0.46) MMP3MMP1MMP13MMP8MAPT
SCHEMBL9714201 0.71 ADAM17 (0.67) MMP2MMP3MMP1MMP13MMP8
SCHEMBL7855580 0.69 MMP1 (0.62) MMP2MMP3MMP1MMP13MMP8
SCHEMBL6943287 0.68 MMP3 (0.45) MMP3LMNAMMP1MMP8MAPT
SCHEMBL6943292 0.68 MMP3 (0.45) MMP3LMNAMMP1MMP8MAPT

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