SCHEMBL7927655

SCHEMBL7927655

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT3 P40763 1/20 0.33
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 2/20 0.32
MCL1 Q07820 1/20 0.32
CYP19A1 P11511 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL7927214 0.95 KMT2A (0.34) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7931154 0.89 MEN1 (0.34) KMT2AMEN1SLC6A4SLC6A3KDM4E
SCHEMBL7924942 0.84 KCNN4 (0.35) ALDH1A1
SCHEMBL7925524 0.83 KMT2A (0.36) KMT2ACYP1A2ALDH1A1CYP2C19MEN1
SCHEMBL7924500 0.81 CHRNA7 (0.31) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7927639 0.79 LMNA (0.34) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7928256 0.79
SCHEMBL7928222 0.79
Hydrochloric Acid SCHEMBL7924760 0.79 KCNN4 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL7919409 0.78

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