SCHEMBL9702955

SCHEMBL9702955

CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2CCCC2=O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ11 Q14654 2/20 0.44
KCNJ8 Q15842 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
PDK2 Q15119 1/20 0.34
PGR P06401 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL9587921 1.00 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9588897 0.91 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9589446 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9589418 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9587584 0.85 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9701845 0.84 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9587862 0.84 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9703931 0.83 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9587950 0.83 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9701836 0.83 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed