SCHEMBL9820804

SCHEMBL9820804

COc1ccc(C)cc1C(=O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL30785090 1.00 KDM4E (0.55) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4113759 0.86 MAPT (0.61) KDM4ERAB9APDE4BPDE4DALDH1A1
SCHEMBL30785070 0.86 KDM4E (0.46) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL9820662 0.85 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL11346572 0.82 ALDH1A1 (0.47) KDM4ENPC1RAB9APDE4BPDE4D
SCHEMBL7419064 0.82 CA12 (0.54) KDM4ENPC1RAB9APDE4BPDE4D
SCHEMBL6269698 0.81 SLC6A9 (0.62) KDM4EPDE4BPDE4DALDH1A1MAPT
SCHEMBL3895445 0.81 SRC (0.70)
SCHEMBL4129937 0.80 MAPT (0.55) KDM4ERAB9AALDH1A1LMNAMAPT
SCHEMBL1342546 0.79 KMT2A (0.47) KMT2AMEN1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed