SCHEMBL7345478

SCHEMBL7345478

CC(C)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NCCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.61
METAP2 P50579 2/20 0.53
METAP1 P53582 1/20 0.39
CTSD P07339 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL7315975 1.00 REN (0.61) RENMETAP2METAP1CTSDMMP1
SCHEMBL7351441 0.93 REN (0.57) RENMETAP2METAP1CTSDMMP3
SCHEMBL9575598 0.88 REN (0.79) RENMETAP2
SCHEMBL14415355 0.88 REN (0.79) RENMETAP2
SCHEMBL7323798 0.88 REN (0.79) RENMETAP2
SCHEMBL7284318 0.88 REN (0.79) RENMETAP2
SCHEMBL9858453 0.88 REN (0.79) RENMETAP2
SCHEMBL7296545 0.88 REN (0.79) RENMETAP2
Hydrochloric Acid SCHEMBL7343870 0.87 REN (0.77) RENMETAP2
SCHEMBL9575444 0.86 REN (0.77) RENMETAP2

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-5120718-A Fungicides ABBOTT LABORATORIES (US) 1992-06-09 US disclosed