SCHEMBL7924823

SCHEMBL7924823

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
TLR2 O60603 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
CDC25B P30305 1/20 0.38
PLK1 P53350 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL7919337 0.90 POLB (0.42) POLBKMT2AGAATLR2ADRB2
SCHEMBL7925408 0.88 KMT2A (0.44) POLBKMT2AGAATLR2ADRB2
SCHEMBL7927412 0.82 GAA (0.36) POLBKMT2AGAATLR2ADRB2
SCHEMBL7924826 0.80 GAA (0.36) POLBKMT2AGAATLR2ADRB2
SCHEMBL7924736 0.79 TSHR (0.39) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL7919336 0.77 GAA (0.36) POLBKMT2AGAATLR2ADRB2
SCHEMBL7925518 0.77 KMT2A (0.41) POLBKMT2AGAATLR2ADRB2
SCHEMBL7928125 0.77 POLB (0.39) POLBKMT2AGAATLR2ADRB2
Hydrochloric Acid SCHEMBL7927393 0.77 POLB (0.43) POLBKMT2AGAATLR2ADRB2
SCHEMBL7924648 0.76 POLB (0.38) POLBKMT2AGAATLR2ADRB2

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