SCHEMBL7925415

SCHEMBL7925415

O=C(O[Ti](OC(=O)c1cccc2ccccc12)(OC(=O)c1cccc2ccccc12)C1CCCC2=C1CC1=C2CCCC1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 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
DRD4 P21917 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7919346 0.90 GAA (0.36) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7924826 0.90 GAA (0.36) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7927243 0.82 KMT2A (0.34) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL7925418 0.81 GAA (0.36) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7925408 0.79 KMT2A (0.44) GAAKMT2APOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7925472 0.79 GAA (0.38) GAAKMT2APOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7927398 0.78 GAA (0.37) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7925421 0.77 KMT2A (0.36) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7925524 0.76 KMT2A (0.36) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL7928322 0.76 MEN1 (0.33) KMT2AKDM4EMEN1MAPT

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