SCHEMBL7128350

SCHEMBL7128350

CC1CCC(c2ccccc2)CC1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
LMNA P02545 1/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GRIN2B Q13224 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL29031641 0.86 SLC18A3 (0.44) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL27490386 0.82 AKR1C3 (0.50) AKR1C3AKR1C1SLC18A3SIGMAR1
SCHEMBL10895189 0.81 AKR1C3 (0.61) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL16830211 0.80 AKR1C3 (0.52) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL16830129 0.80 AKR1C3 (0.52) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL16830128 0.80 AKR1C3 (0.52) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL190852 0.80 AKR1C3 (0.52) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL16830208 0.80 AKR1C3 (0.52) AKR1C3AKR1C1LMNASLC18A3SIGMAR1
SCHEMBL21409547 0.79 ESR2 (0.62)
SCHEMBL15906232 0.77 AKR1C3 (0.46) AKR1C3AKR1C1LMNASLC18A3SIGMAR1

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-20080242750-A1 Polycyclic polymers containing pendant ion conducting moieties PROMERUS LLC 2008-10-02 US disclosed
JP-2003064021-A METHOD OF PRODUCTION OF 3,3',4,4'-BIPHENYLTETRACARBOXYLIC ACID MITSUBISHI GAS CHEM CO INC 2003-03-05 JP disclosed