SCHEMBL7923901

SCHEMBL7923901

C=[Ti](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)(C1=CC=CC1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
BCHE P06276 1/20 0.33
CHRNA7 P36544 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LMNA P02545 2/20 0.32
F2 P00734 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7930752 0.91 MAPT (0.34) KMT2AGAAMEN1POLBLMNA
SCHEMBL7927103 0.86 POLB (0.41) KMT2AGAAMEN1POLBLMNA
SCHEMBL7925865 0.84 POLB (0.33) GAATSHRPOLB
SCHEMBL8158140 0.83 APOBEC3A (0.33) KMT2AGAAMEN1TSHRCHRNA7
SCHEMBL7927134 0.83 POLB (0.35) POLB
SCHEMBL7919133 0.83 POLB (0.33) POLB
SCHEMBL7928341 0.83 POLB (0.33) POLBLMNAALDH1A1
SCHEMBL7919280 0.82 KCNN4 (0.38) POLB
SCHEMBL7919260 0.82 KMT2A (0.37) KMT2AGAAMEN1TSHRPOLB
SCHEMBL7919194 0.82 LMNA (0.33) KMT2ATSHRPOLBLMNAALDH1A1

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 2 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
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed