SCHEMBL7930285

SCHEMBL7930285

C[Ti](C)(OC(=O)c1ccc(F)cc1)C1C2=C(CCCC2)C2=C1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL7931008 0.89 MEN1 (0.38) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL7928326 0.86 KDM4E (0.39) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL7924736 0.86 TSHR (0.39) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL7927380 0.80 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7930282 0.78 MEN1 (0.34) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL7928340 0.75 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7925799 0.75
SCHEMBL7927302 0.74 MEN1 (0.35) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL7925825 0.74 MEN1 (0.34) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL7925721 0.73 MEN1 (0.35) MEN1KMT2AKDM4EMAPTNPC1

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