SCHEMBL9559115

SCHEMBL9559115

O=C1CC(OOCc2ccccc2)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.43
BRD4 O60885 5/20 0.43
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL4059320 0.82 CREBBP (0.45) CREBBPBRD4HTTLMNATSHR
SCHEMBL8809394 0.74 CREBBP (0.54) CREBBPBRD4HTTPDE4APDE4B
SCHEMBL10702878 0.74 BRD4 (0.47) CREBBPBRD4GAADDB1CRBN
SCHEMBL9559119 0.73 DDB1 (0.38) CREBBPBRD4LMNATSHRDDB1
SCHEMBL9670907 0.71 PSEN1 (0.44) MAOBGAADDB1CRBN
SCHEMBL6866934 0.70 TSHR (0.55) CREBBPBRD4TSHRGAADDB1
SCHEMBL9660776 0.70 TSHR (0.44) CREBBPBRD4HTTLMNATSHR
SCHEMBL4695211 0.70 TSHR (0.55) CREBBPBRD4TSHRGAADDB1
SCHEMBL10582642 0.70 TSHR (0.44) CREBBPBRD4HTTLMNATSHR
SCHEMBL7263768 0.70 TSHR (0.55) CREBBPBRD4TSHRGAADDB1

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed