SCHEMBL9770911

SCHEMBL9770911

N[C@@H](CC1CCCCC1)[C@@H](O)CNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.52
METAP1 P53582 4/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.46
CASP1 P29466 1/20 0.45
REN P00797 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL10521376 1.00 METAP2 (0.52) METAP2METAP1ALDH1A1MEN1KMT2A
SCHEMBL10521370 1.00 METAP2 (0.52) METAP2METAP1ALDH1A1MEN1KMT2A
SCHEMBL7300559 0.87 MEN1 (0.52) METAP2METAP1ALDH1A1MEN1KMT2A
SCHEMBL6647029 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACTSBCTSS
SCHEMBL6476379 0.82 METAP2 (0.64) METAP2METAP1ALDH1A1MEN1KMT2A
SCHEMBL3320858 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACTSBCTSS
SCHEMBL2541204 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACTSBCTSS
SCHEMBL12135341 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8269724 0.81 CTSK (0.57) METAP2METAP1ALDH1A1CTSBCTSS
SCHEMBL1863093 0.81 CTSK (0.57) METAP2METAP1ALDH1A1CTSBCTSS

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
US-5045537-A Treating Diseases Caused by Retroviruses SANDOZ LTD. (CH) 1991-09-03 US disclosed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed