SCHEMBL6007703

SCHEMBL6007703

COc1cccc2[nH]c3cccc(C)c3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.56
HTR2C P28335 2/20 0.48
AR P10275 1/20 0.46
PARP1 P09874 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46

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
SCHEMBL6008353 0.90 ABCG2 (0.65) ABCG2HTR2CPARP1GABRPGABRD
SCHEMBL6008331 0.83 GPR84 (0.48) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL30715250 0.83 GPR84 (0.48) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL29707164 0.78 ABCG2 (0.53) ABCG2HTR2CPARP1GABRPGABRD
SCHEMBL31216295 0.77 ABCG2 (0.75) ABCG2HTR2CGABRPGABRDGABRA1
SCHEMBL8762464 0.77 KDM4E (0.56) ABCG2HTR2CARPARP1GABRP
SCHEMBL3362359 0.77 ABCG2 (0.75) ABCG2HTR2CGABRPGABRDGABRA1
SCHEMBL13409419 0.75 CA12 (0.46) MEN1HPGDKMT2AKDM4EMAPT
SCHEMBL6008281 0.74 CHEK1 (0.46) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL8959984 0.73 GPR84 (0.55) ABCG2HTR2CMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed