SCHEMBL7928685

SCHEMBL7928685

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL7919199 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7924772 0.77 ELANE (0.30)
SCHEMBL7925726 0.75
SCHEMBL7925572 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7919536 0.72 KDM4E (0.34) ALDH1A1
SCHEMBL7928639 0.71 SMN1; SMN2 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL1309581 0.70
SCHEMBL7928618 0.69 HIF1A (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL7924814 0.68
SCHEMBL9134638 0.65

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