SCHEMBL9697153

SCHEMBL9697153

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
LTA4H P09960 1/20 0.41
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 3/20 0.38
METAP1 P53582 2/20 0.38
SLC1A1 P43005 2/20 0.36
CCR1 P32246 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL7436906 0.88 REN (0.50) RENLTA4HSLC1A3SLC1A2ALDH1A1
SCHEMBL7436910 0.88 REN (0.50) RENLTA4HSLC1A3SLC1A2ALDH1A1
SCHEMBL4073025 0.80 REN (0.52) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL7437312 0.79 REN (0.48) RENSLC1A3SLC1A2ALDH1A1KMT2A
SCHEMBL7279876 0.78 REN (0.55) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL7367047 0.77 REN (0.55) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL31109145 0.76 CPN1 (0.47) LTA4HSLC1A3SLC1A2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9875689 0.76 REN (0.48) RENMETAP2METAP1CCR1
Hydrochloric Acid SCHEMBL9876283 0.76 REN (0.54) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL10353656 0.76 GRIK1 (0.51) RENLTA4HSLC1A3SLC1A2ALDH1A1

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
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed