SCHEMBL7925147

SCHEMBL7925147

CC1=C([Ti](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)C2=C(CCCC2)C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 1/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL7927302 0.88 MEN1 (0.35) LMNAMEN1KMT2ACYP1A2
SCHEMBL7925832 0.84 TSHR (0.34) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7930990 0.81 KCNN4 (0.39)
SCHEMBL7928125 0.81 POLB (0.39) LMNAKMT2AGAA
SCHEMBL7927358 0.76
SCHEMBL7927680 0.76 CHRNA7 (0.32) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7927630 0.75 CHRNA7 (0.32) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7927275 0.75 CHRNA7 (0.32) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7927262 0.75
SCHEMBL7924551 0.75

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