SCHEMBL7930917

SCHEMBL7930917

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.47
CHRM3 P20309 5/20 0.31
CHRM2 P08172 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CES1 P23141 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL7925906 0.88 KCNN4 (0.47) KCNN4CHRM3CHRM2CHRM1CHRM4
SCHEMBL7927408 0.78 ELANE (0.32)
SCHEMBL7928576 0.71 KCNN4 (0.61) KCNN4NPSR1CES1KMT2AMAPT
SCHEMBL7930994 0.70 KCNN4 (0.46) KCNN4CHRM3CHRM2CHRM1CHRM4
SCHEMBL7928334 0.69 KCNN4 (0.45) KCNN4
SCHEMBL7925917 0.68 ALDH1A1 (0.34) KMT2AALDH1A1
SCHEMBL7931125 0.68 TSHR (0.43) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL7919422 0.68 KCNN4 (0.44) KCNN4KMT2AMEN1POLB
SCHEMBL27335148 0.67 CA4 (0.33)
SCHEMBL7927240 0.67

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