SCHEMBL7925366

SCHEMBL7925366

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
TLR2 O60603 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CDC25B P30305 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
Hydrochloric Acid SCHEMBL7928323 0.97 GAA (0.36) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL7924500 0.83 CHRNA7 (0.31) KMT2AALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL7925524 0.83 KMT2A (0.36) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL7925518 0.82 KMT2A (0.41) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL7931069 0.81 KMT2A (0.36) KMT2AGAAPOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7927398 0.79 GAA (0.37) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL7925418 0.78 GAA (0.36) KMT2AGAAPOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7927331 0.78 GAA (0.36) KMT2AGAAPOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7927393 0.78 POLB (0.43) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL7927412 0.77 GAA (0.36) KMT2AGAAPOLBALDH1A1KDM4E

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