SCHEMBL7930309

SCHEMBL7930309

O=C(O[Ti])c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.45
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL248548 0.82 CES2 (0.62) CES2CES1CA1CA2RAB9A
SCHEMBL775620 0.80 CES2 (0.59) CES2CES1CA1CA2RAB9A
SCHEMBL11127178 0.80 CES2 (0.59) CES2CES1CA1CA2RAB9A
SCHEMBL28270453 0.76 CES2 (0.54) CES2CES1CA1CA2RAB9A
SCHEMBL63811 0.76 MAPT (0.75) CES2CES1CA1CA2RAB9A
SCHEMBL27712402 0.76 CES2 (0.54) CES2CES1CA1CA2RAB9A
SCHEMBL556622 0.76 CES2 (0.54) CES2CES1CA1CA2RAB9A
SCHEMBL2015957 0.76 CES2 (0.54) CES2CES1CA1CA2RAB9A
SCHEMBL15984769 0.76 CES2 (0.54) CES2CES1CA1CA2RAB9A
SCHEMBL27669624 0.75 LMNA (0.64) CES2CES1CA1CA2KMT2A

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