SCHEMBL7928639

SCHEMBL7928639

CC1=C([Ti](OC(=O)c2ccc(F)cc2)(OC(=O)c2ccc(F)cc2)OC(=O)c2ccc(F)cc2)CC=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 6/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
ATM Q13315 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
POLB P06746 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7925560 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7928464 0.75 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7919114 0.74 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7924772 0.71 ELANE (0.30)
SCHEMBL7925726 0.70
SCHEMBL7930349 0.69 CES2 (0.52) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7925396 0.68 RAB9A (0.39) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7924597 0.67 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL7927391 0.66 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1
SCHEMBL248548 0.64 CES2 (0.62) SMN1; SMN2CYP1A2KMT2ARAB9ANPC1

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