SCHEMBL8874602

SCHEMBL8874602

CC(C)COc1ccc2c(c1)C(=O)[C@H](CC=O)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.49
PDE4D Q08499 1/20 0.43
ACHE P22303 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8595906 1.00 METAP1 (0.49) METAP1PDE4DACHEBRD4CREBBP
SCHEMBL8594663 0.88 METAP1 (0.44) METAP1PDE4DACHEBRD4CREBBP
SCHEMBL8594660 0.88 METAP1 (0.44) METAP1PDE4DACHEBRD4CREBBP
SCHEMBL8874208 0.88 METAP1 (0.44) METAP1PDE4DACHEBRD4CREBBP
SCHEMBL8874791 0.86 METAP1 (0.52) METAP1ACHETHRATHRBCYP19A1
SCHEMBL8600859 0.86 METAP1 (0.52) METAP1ACHETHRATHRBCYP19A1
SCHEMBL8874562 0.83 METAP1 (0.69) METAP1ACHECYP19A1
SCHEMBL8598724 0.83 METAP1 (0.69) METAP1ACHECYP19A1
SCHEMBL19553787 0.80 ACHE (0.64) METAP1PDE4DACHEBRD4CREBBP
SCHEMBL29979171 0.80 ACHE (0.64) METAP1PDE4DACHEBRD4CREBBP

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
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 US disclosed