SCHEMBL5058200

SCHEMBL5058200

Cc1ccc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
BRD4 O60885 1/20 0.44
PTPN5 P54829 2/20 0.44
NFE2L2 Q16236 1/20 0.44
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
SCN2A Q99250 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL28667956 0.84 ADORA2A (0.54) AKR1C3AKR1C2ADORA2AADORA1CNR2
SCHEMBL5058197 0.83 KIF11 (0.52) AKR1C3AKR1C2PTPN5NFE2L2NPC1
SCHEMBL12629284 0.83 SLC1A3 (0.48) AKR1C3AKR1C2ADORA2AADORA1BRD4
SCHEMBL9056454 0.82 NFE2L2 (0.45) AKR1C3AKR1C2ADORA2AADORA1BRD4
SCHEMBL26375407 0.82 NFE2L2 (0.45) AKR1C3AKR1C2ADORA2AADORA1BRD4
SCHEMBL26375430 0.82 NFE2L2 (0.45) AKR1C3AKR1C2ADORA2AADORA1CNR1
SCHEMBL9056918 0.81 PTPN5 (0.48) AKR1C3AKR1C2CNR1CNR2PTPN5
SCHEMBL17840165 0.80 RORC (0.57) ADORA2AADORA1CNR2PTPN5RORC
SCHEMBL3005820 0.80 ELANE (0.52) HPGDNPC1RAB9AKDM4EMAPT
SCHEMBL30023096 0.79 KIF11 (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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
EP-1157842-B1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORP (JP) 2008-10-08 EP disclosed
US-6629754-B1 Ink jet printer head manufacturing method thereof, and polycyclic thiol compounds SEIKO EPSON CORPORATION (JP) 2003-10-07 US disclosed
EP-1157842-A1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORPORATION (JP) 2001-11-28 EP disclosed