SCHEMBL7927339

SCHEMBL7927339

O=C(O[Ti]1(OC(=O)c2cccc3ccccc23)C2c3ccccc3-c3cccc(c32)CCc2cccc3c2C1c1ccccc1-3)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 2/20 0.37
HIF1A Q16665 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL7930312 0.93 KMT2A (0.37) KMT2AGAAPOLBCYP1A2CYP2C19
SCHEMBL7919525 0.83 ALDH1A1 (0.38) KMT2AGAAPOLBCYP1A2CYP2C19
SCHEMBL7928586 0.82 HTT (0.39) KMT2AMEN1LMNAHTTL3MBTL1
SCHEMBL7925574 0.79 POLB (0.42) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL7924959 0.78 MAPT (0.42) KMT2AGAACYP1A2CYP2C19CYP2C9
SCHEMBL7925878 0.77 MEN1 (0.35) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL7919221 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHTT
SCHEMBL7919279 0.76 ALDH1A1 (0.34) KMT2APOLBALDH1A1LMNAHTT
SCHEMBL7927183 0.76 DRD1 (0.37) KMT2APOLBCYP1A2CYP2C19HPGD
SCHEMBL7925516 0.75 POLB (0.35) KMT2APOLBALDH1A1MEN1SMN1; SMN2

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