Sugi Predict

Sugi Predict / Compounds / SCHEMBL7317656

SCHEMBL7317656

SCHEMBL7317656

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.53
▸ METAP2 P50579 5/20 0.41
▸ METAP1 P53582 4/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL7317650 1.00 REN (0.53) RENMETAP2METAP1EPHX1ALOX5
SCHEMBL7291539 0.88 REN (0.53) RENMETAP2METAP1
SCHEMBL9177605 0.88 REN (0.53) RENMETAP2METAP1
SCHEMBL10433749 0.88 REN (0.53) RENMETAP2METAP1
SCHEMBL9858518 0.85 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9575386 0.85 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9685661 0.85 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7348380 0.84 REN (0.50) RENMETAP2METAP1ALOX5ALDH1A1
SCHEMBL14420286 0.81 REN (0.53) RENMETAP2METAP1
SCHEMBL8826686 0.81 REN (0.56) RENMETAP2METAP1EPHX1

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-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 — — EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 — — WO disclosed