SCHEMBL27772445

SCHEMBL27772445

CCC(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)CC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ENPEP Q07075 11/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.44
MME P08473 2/20 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
SCHEMBL27772443 1.00 ALDH1A1 (0.49) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL15692392 0.88 ALDH1A1 (0.46) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL3396691 0.88 ALDH1A1 (0.46) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL3396696 0.88 ALDH1A1 (0.46) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL21261623 0.87 ALDH1A1 (0.45) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL28540874 0.87 ALDH1A1 (0.45) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL24178173 0.86 ALDH1A1 (0.64) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL15692293 0.86 ALDH1A1 (0.64) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL30483707 0.84 ALDH1A1 (0.51) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL14298968 0.84 PLA2G2A (0.42) ALDH1A1ENPEPMEN1LMNAKMT2A

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
CN-101896470-A Dual-acting benzimidazole derivatives and their use as antihypertensive agents THERAVANCE INC 2010-11-24 CN disclosed
CN-101657424-A Dual-action antihypertensive agent THERAVANCE INC US 2010-02-24 CN disclosed