SCHEMBL7927243

SCHEMBL7927243

O=C(O[Ti](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)C1CCCC2=C1CC1=C2CCCC1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34
MCL1 Q07820 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.32
CHRNA7 P36544 3/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7924732 0.88 KMT2A (0.33) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7927344 0.88 KMT2A (0.33) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7925475 0.82 KCNN4 (0.35) ALDH1A1
SCHEMBL7919435 0.79
SCHEMBL7927680 0.79 CHRNA7 (0.32) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7919305 0.77 LMNA (0.36) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7927250 0.76 F2 (0.39) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7928569 0.76
SCHEMBL7925384 0.76
SCHEMBL7928281 0.76

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