SCHEMBL8134445

SCHEMBL8134445

O=C(OC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP17A1 P05093 3/20 0.46
CASR P41180 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
P2RX7 Q99572 5/20 0.44
CNR2 P34972 4/20 0.44
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CKS1B P61024 1/20 0.41

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
SCHEMBL30443838 0.89 ALDH1A1 (0.49) CYP19A1KDM4ECYP17A1CASRALDH1A1
SCHEMBL1397066 0.85 KDM4E (0.40) CYP19A1KDM4ECYP17A1CASRALDH1A1
SCHEMBL11575818 0.84 FAAH (0.51) CYP19A1KDM4ECYP17A1CASRALDH1A1
SCHEMBL24804782 0.80 P2RX7 (0.42) CYP19A1KDM4ECYP17A1CASRALDH1A1
SCHEMBL28628006 0.80 P2RX7 (0.45) CYP19A1CYP17A1CASRALDH1A1HTT
Water SCHEMBL28770286 0.80 CNR2 (0.47) ALDH1A1MAPTHPGDTSHRNPSR1
SCHEMBL8129733 0.79 HSP90AA1 (0.48) CYP19A1CYP17A1ALDH1A1MAPTHPGD
SCHEMBL9856147 0.77 MAOA (0.37) CYP19A1KDM4ECYP17A1CASRALDH1A1
Potassium SCHEMBL9855453 0.76 MAOA (0.36) CYP19A1KDM4ECYP17A1CASRALDH1A1
SCHEMBL5114780 0.76 KDM4E (0.45) CYP19A1KDM4ECYP17A1CASRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102311346-B Adamantane-containing resin as well as preparation method and application thereof UNIV CHANGZHOU 2014-06-25 CN claimed
CN-102311346-A Adamantane-containing resin as well as preparation method and application thereof UNIV CHANGZHOU 2012-01-11 CN claimed
CN-102311346-B Adamantane-containing resin as well as preparation method and application thereof UNIV CHANGZHOU 2014-06-25 CN disclosed
CN-102311346-A Adamantane-containing resin as well as preparation method and application thereof UNIV CHANGZHOU 2012-01-11 CN disclosed
EP-0989162-A1 THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET Daicel Chemical Industries, Ltd. (JP) 2000-03-29 EP disclosed