SCHEMBL9846763

SCHEMBL9846763

COC(=O)c1ccccc1-c1cc2cc(C)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.51
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
NR1H3 Q13133 2/20 0.42

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
SCHEMBL9846683 0.80 NR1H2 (0.43) NR1H2BRD4CREBBPNR1H3
SCHEMBL9846744 0.80 NR1H2 (0.52) NR1H2BRD4CREBBPNR1H3
SCHEMBL8820122 0.80 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL9846756 0.80 NR1H2 (0.48) NR1H2MAPTBRD4CREBBPNR1H3
SCHEMBL19013038 0.79 MAPT (0.46) NR1H2LMNATP53MAPT
SCHEMBL29631941 0.79 MAPT (0.46) NR1H2LMNATP53MAPT
SCHEMBL9846745 0.78 CCNB2 (0.44) NR1H2LMNATP53MAPT
SCHEMBL9846755 0.76 MAPT (0.46) LMNATP53MAPTBRD4CREBBP
SCHEMBL21657872 0.76 NR1H2 (0.52) NR1H2BRD4CREBBPNR1H3
SCHEMBL10173695 0.74 NR1H2 (0.49) NR1H2NR1H3

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-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed