SCHEMBL6249889

SCHEMBL6249889

CC(=O)OC1CC1c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
DEGS1 O15121 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC18A3 Q16572 1/20 0.35
ESR2 Q92731 2/20 0.35
PREP P48147 2/20 0.35
CELA1 Q9UNI1 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
SCHEMBL24658450 0.84 KDM1A (0.44) KDM1ALMNA
SCHEMBL3170686 0.84 SMN1; SMN2 (0.50) KDM1ASLC18A3
SCHEMBL6249011 0.83 GABRA1 (0.52) KDM1AGABRA1GABRB2
SCHEMBL28695022 0.82 KDM1A (0.46) KDM1ADEGS1ESR2
SCHEMBL28695021 0.82 KDM1A (0.46) KDM1ADEGS1ESR2
SCHEMBL28829894 0.81 SLC6A2 (0.47) KDM1ALMNA
SCHEMBL27973992 0.81 TSHR (0.38) KDM1ADEGS1
SCHEMBL24658425 0.75 CA1 (0.40)
SCHEMBL28377084 0.74 KDM1A (0.44) KDM1AGABRA1GABRB2CHRM2CHRM4
SCHEMBL21236176 0.73 KDM1A (0.53) KDM1AGABRA1GABRB2

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
WO-2005051904-A2 NOVEL PROCESSES FOR THE SYNTHESIS OF CYCLOPROPYL COMPOUNDS PHARMACIA CORPORATION (US) 2005-06-09 WO disclosed