SCHEMBL9890029

SCHEMBL9890029

CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6cc5c4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.40
PDK2 Q15119 7/20 0.40
PLA2G2A P14555 4/20 0.37
PLA2G4A P47712 4/20 0.37
PLA2G10 O15496 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
PGR P06401 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1637658 0.94 PRKDC (0.40) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL1635693 0.94 MAOA (0.38) PRKDCPDK2PLA2G2APLA2G4AMAOA
SCHEMBL12181453 0.90 PRKDC (0.38) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL1637406 0.90 PDK2 (0.37) PDK2PLA2G2APLA2G4AMAOAPGR
SCHEMBL1637407 0.90 PLA2G2A (0.41) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL16017881 0.89 PDK2 (0.38) PDK2PLA2G2APLA2G4AALDH1A1MAPT
SCHEMBL22249606 0.89 PDK2 (0.34) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL25052697 0.89 PLA2G2A (0.36) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL23509151 0.89 PLA2G2A (0.36) PRKDCPDK2PLA2G2APLA2G4APLA2G10
SCHEMBL1635433 0.88 PLA2G2A (0.40) PRKDCPDK2PLA2G2APLA2G4APLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed