SCHEMBL9681377

SCHEMBL9681377

Cc1[nH]c(=O)c(NCc2nc3c(C)ccc(C)c3o2)cc1C(C)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9456135 0.86
SCHEMBL6367001 0.83 KMT2A (0.35) ALDH1A1
SCHEMBL9681875 0.79 MAPT (0.37) ALDH1A1
SCHEMBL9681878 0.77 KMT2A (0.35) ALDH1A1
SCHEMBL9846168 0.75 KMT2A (0.33) ALDH1A1
SCHEMBL9442169 0.72 HCAR2 (0.30)
L-697661 SCHEMBL599639 0.68 FABP4 (0.34) ALDH1A1
SCHEMBL9846239 0.68 MEN1 (0.32) ALDH1A1
SCHEMBL9170726 0.68 PIK3CD (0.42)
SCHEMBL9680865 0.68 NPC1 (0.33)

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-5169769-A Aerobic culture product MERCK & CO., INC. (US) 1992-12-08 US disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed