SCHEMBL7930318

SCHEMBL7930318

CC1=C(C)C(C)(C)C([Ti+](OC(=O)c2cccc3ccccc23)OC(=O)c2cccc3ccccc23)=C1C.C[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
PLK1 P53350 1/20 0.38
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MEN1 O00255 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
Hydrochloric Acid SCHEMBL7925567 0.96 CDC25B (0.41) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7924580 0.76 CDC25B (0.40) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7919043 0.75 NR4A1 (0.52) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7925818 0.73 CDC25B (0.43) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7930687 0.72 CDC25B (0.42) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7928258 0.72 CDC25B (0.41) CDC25BPOLBKMT2AGAAHPGD
Hydrochloric Acid SCHEMBL7919334 0.72 CDC25B (0.41) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7927280 0.72 CDC25B (0.41) CDC25BPOLBKMT2AGAAHPGD
SCHEMBL7925022 0.71 KCNN4 (0.43) L3MBTL1
SCHEMBL7919270 0.68 ALDH1A1 (0.33) ALDH1A1

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