SCHEMBL9820552

SCHEMBL9820552

COc1c(C)cc(C)cc1C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL9820687 0.85 HSD17B10 (0.42) MEN1KMT2ALMNANPSR1PDE4B
SCHEMBL9820695 0.85 CNR1 (0.43) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL9820655 0.80 BCL2L1 (0.44) CNR1CNR2MEN1KMT2ATAS1R3
SCHEMBL4631386 0.78 KDM4E (0.54) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL9820804 0.77 KDM4E (0.55) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL30785090 0.77 KDM4E (0.55) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL27265229 0.76 ALDH1A1 (0.40) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL26583286 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL4132557 0.74 TAS1R3 (0.41) CNR1CNR2ALDH1A1KMT2ATAS1R3
SCHEMBL8431119 0.73 KDM4E (0.41) PDE3BPDE3AALDH1A1MEN1KMT2A

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