SCHEMBL7924740

SCHEMBL7924740

C[O-].C[O-].O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7927366 0.95 KDM4E (0.38) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7927636 0.86 TSHR (0.38) MEN1KMT2AMAPTCYP1A2SMN1; SMN2
SCHEMBL7928302 0.82 MEN1 (0.35) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7924742 0.81 MEN1 (0.37) KDM4EMEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL7919308 0.81 KMT2A (0.38) MEN1KMT2AMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL7925867 0.78 KMT2A (0.35) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7931147 0.76 KDM4E (0.37) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7919188 0.75
Hydrochloric Acid SCHEMBL7927362 0.75 MEN1 (0.36) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7931008 0.72 MEN1 (0.38) KDM4EMEN1KMT2AMAPTNPC1

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