SCHEMBL9729608

SCHEMBL9729608

CO[C](C)Cc1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
P2RX7 Q99572 2/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
HBB P68871 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PYCR1 P32322 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PSMB5 P28074 2/20 0.37

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
SCHEMBL3031232 0.79 TP53 (0.44) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL10015983 0.79 NPC1 (0.45) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL9729251 0.76 MAOB (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL10456035 0.76 TP53 (0.41) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL17562017 0.76 TP53 (0.41) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL4050941 0.76 NPC1 (0.45) ALDH1A1P2RX7MEN1KMT2ANPC1
SCHEMBL1145658 0.75 KDM4E (0.51) KDM4EALDH1A1PTPN7DUSP3MEN1
SCHEMBL6934057 0.74 TP53 (0.43) KDM4EALDH1A1P2RX7PTPN7DUSP3
SCHEMBL14729157 0.74 NPC1 (0.46) ALDH1A1P2RX7MEN1KMT2ANPC1
SCHEMBL30618212 0.73 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2AUSP2

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed