SCHEMBL9260290

SCHEMBL9260290

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.50
METAP2 P50579 8/20 0.38
METAP1 P53582 5/20 0.36
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7433023 0.89 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7327540 0.85 REN (0.53) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7279876 0.83 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL8682444 0.83 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL8682141 0.83 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9442933 0.82 REN (0.46) RENMETAP2METAP1
SCHEMBL7436027 0.82 REN (0.52) RENMETAP2METAP1
SCHEMBL5709564 0.81 REN (0.44) RENMETAP2METAP1
SCHEMBL5709598 0.81 REN (0.44) RENMETAP2METAP1
SCHEMBL7301121 0.81 REN (0.50) RENMETAP2METAP1ALDH1A1KMT2A

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-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 US disclosed