SCHEMBL7928630

SCHEMBL7928630

O=C(O[Ti](OC(=O)c1ccc(F)cc1)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 4/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 4/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G7 Q13093 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
SCHEMBL7928418 0.88 NPC1 (0.40) NPC1RAB9APKMMAPTCASP3
SCHEMBL7924480 0.87 F2 (0.44) MAPTKMT2AMEN1SLC6A3TSHR
SCHEMBL7930323 0.75 POLB (0.56) MAPTKMT2AMEN1CYP1A2TSHR
SCHEMBL7925501 0.74 NPC1 (0.37) NPC1RAB9APKMMAPTKMT2A
SCHEMBL7924996 0.74 F2 (0.44) MAPTKMT2AMEN1SLC6A3TSHR
SCHEMBL7925550 0.71 KMT2A (0.44) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL7930349 0.70 CES2 (0.52) NPC1RAB9APKMMAPTCASP3
SCHEMBL7925873 0.70 POLB (0.39) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL7930336 0.70 POLB (0.39) MAPTKMT2AMEN1CYP1A2TSHR
SCHEMBL7919158 0.70 POLB (0.42) MAPTKMT2ASLC6A4SLC6A3CYP1A2

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