SCHEMBL7925518

SCHEMBL7925518

C[O-].O=C(O[Ti+](OC(=O)c1cccc2ccccc12)C1C2=C(CCCC2)C2=C1CCCC2)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
TLR2 O60603 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CDC25B P30305 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
PLK1 P53350 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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 SCHEMBL7927393 0.95 POLB (0.43) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7925366 0.82 KMT2A (0.35) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7925524 0.81 KMT2A (0.36) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7927651 0.80 TSHR (0.38) KMT2AGAAALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL7928323 0.79 GAA (0.36) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7924823 0.77 POLB (0.42) KMT2APOLBGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7927398 0.76 GAA (0.37) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7919337 0.75 POLB (0.42) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7919043 0.74 NR4A1 (0.52) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL7925408 0.74 KMT2A (0.44) KMT2APOLBGAAALDH1A1MAPT

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