SCHEMBL7927285

SCHEMBL7927285

C=[Ti](OC(=O)c1cccc2ccccc12)(OC(=O)c1cccc2ccccc12)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
EPHX1 P07099 1/20 0.36
MMP3 P08254 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CDC25B P30305 2/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 3/20 0.35
LGALS9 O00182 1/20 0.35
LGALS8 O00214 1/20 0.35
LGALS1 P09382 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS7; LGALS7B P47929 1/20 0.35
PTPN1 P18031 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL7925441 0.82 KMT2A (0.37) KMT2APOLBGAANR4A1NR4A2
SCHEMBL7931023 0.82 PLK1 (0.38) KMT2APOLBGAANR4A1NR4A2
SCHEMBL7925562 0.80 KMT2A (0.32) KMT2APOLBGAANR4A1NR4A2
SCHEMBL7927202 0.79 LMNA (0.37) KMT2APOLBGAAEPHX1ALDH1A1
SCHEMBL7927560 0.76 POLB (0.36) KMT2APOLBKDM4EHPGDALDH1A1
SCHEMBL28872350 0.76 KMT2A (0.43) KMT2APOLBGAANR4A1NR4A2
SCHEMBL7925654 0.75 KMT2A (0.32) KMT2APOLBGAACDC25BKDM4E
SCHEMBL7924726 0.75 NPC1 (0.35) KMT2APOLBEPHX1HPGDALDH1A1
SCHEMBL7930674 0.74 THRB (0.31)
SCHEMBL7930981 0.73 RET (0.34) ALDH1A1SMN1; SMN2LMNA

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