SCHEMBL7930994

SCHEMBL7930994

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
CHRM3 P20309 6/20 0.33
CHRM2 P08172 5/20 0.33
CHRM1 P11229 5/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 2/20 0.33
NPSR1 Q6W5P4 1/20 0.30
CES1 P23141 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7925019 0.80 ELANE (0.30)
SCHEMBL7919112 0.78 KCNN4 (0.35) KCNN4
SCHEMBL7928237 0.78 TSHR (0.42) KMT2AMAPTMEN1POLBSMN1; SMN2
SCHEMBL7925847 0.75
SCHEMBL7925581 0.75 KCNN4 (0.36) KCNN4
SCHEMBL7924752 0.72 KCNN4 (0.34) KCNN4
SCHEMBL7930653 0.71
SCHEMBL7928122 0.71
SCHEMBL7919595 0.71 ALDH1A1 (0.32)
SCHEMBL7930246 0.70

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