SCHEMBL9504802

SCHEMBL9504802

CCCCCCCCC=Cc1ccc(C(=O)N(CC)OCCCCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.44
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PLA2G4B P0C869 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
APP P05067 3/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL9504608 0.92 TNNC1 (0.43) TNNC1TP53TSHRABCG2BCHE
SCHEMBL9508213 0.91 TNNC1 (0.44) TNNC1ABCG2
SCHEMBL9508218 0.91 TNNC1 (0.44) TNNC1ABCG2
SCHEMBL9506054 0.88 TNNC1 (0.45) TNNC1ABCG2
SCHEMBL9506051 0.88 TNNC1 (0.45) TNNC1ABCG2
SCHEMBL9504725 0.87 TNNC1 (0.43) TNNC1ABCG2BCHEACHE
SCHEMBL9504730 0.87 TNNC1 (0.43) TNNC1ABCG2BCHEACHE
SCHEMBL9508227 0.87 PPARG (0.43) TSHRMAPT
SCHEMBL9508230 0.87 PPARG (0.43) TSHRMAPT
SCHEMBL9508810 0.80 TNNC1 (0.47) TNNC1ABCG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed