SCHEMBL9602259

SCHEMBL9602259

O=C1OC(=O)C2CCCC1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GMNN O75496 2/20 0.44
PPM1B O75688 2/20 0.44
PPP1CC P36873 2/20 0.44
TFPI2 P48307 2/20 0.44
PPP5C P53041 2/20 0.44
PPP1CA P62136 2/20 0.44
PMP22 Q01453 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP3A4 P08684 3/20 0.30
MAPK1 P28482 3/20 0.30
HIF1A Q16665 2/20 0.30
CYP1A2 P05177 2/20 0.30

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
SCHEMBL21987140 0.88 TP53 (0.48) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL9601537 0.88 TP53 (0.48) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL6230684 0.72
SCHEMBL336246 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL4968628 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL32690600 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL4464324 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL5525143 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL18923859 0.71 KDM4E (0.42) TP53LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL24453673 0.69 KDM4E (0.40) TP53LMNARAB9ASMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed