SCHEMBL7924744

SCHEMBL7924744

CC1=C(C)C(C)=C([Ti](OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
CHRM3 P20309 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CES1 P23141 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL7930313 0.79 KCNN4 (0.45) KCNN4
SCHEMBL7928334 0.76 KCNN4 (0.45) KCNN4
SCHEMBL7925018 0.71 KCNN4 (0.46) KCNN4NPSR1CES1MAPTKMT2A
SCHEMBL7928576 0.70 KCNN4 (0.61) KCNN4NPSR1CES1MAPTKMT2A
SCHEMBL7918724 0.70 KCNN4 (0.45) KCNN4
SCHEMBL7925906 0.70 KCNN4 (0.47) KCNN4CHRM3NPSR1CES1MAPT
SCHEMBL1647761 0.68 KCNN4 (0.62) KCNN4CHRM3NPSR1MAPTKMT2A
SCHEMBL7925537 0.67 KCNN4 (0.38) KCNN4
Phosphine SCHEMBL27817569 0.66 KCNN4 (0.60) KCNN4CHRM3NPSR1MAPTKMT2A
SCHEMBL7930990 0.65 KCNN4 (0.39) KCNN4

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