SCHEMBL7925418

SCHEMBL7925418

CC1C2=C(CCCC2)C2=C1C([Ti](OC(=O)c1cccc3ccccc13)(OC(=O)c1cccc3ccccc13)OC(=O)c1cccc3ccccc13)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TLR2 O60603 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
DRD4 P21917 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CDC25B P30305 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PLK1 P53350 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL7927412 0.91 GAA (0.36) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7919336 0.91 GAA (0.36) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7919535 0.82 KMT2A (0.36) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7925415 0.81 GAA (0.38) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7925408 0.80 KMT2A (0.44) GAAPOLBKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7927331 0.80 GAA (0.36) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7928125 0.79 POLB (0.39) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7931069 0.79 KMT2A (0.36) GAAPOLBKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7928323 0.79 GAA (0.36) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL7925366 0.78 KMT2A (0.35) GAAPOLBKMT2AALDH1A1KDM4E

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-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed