SCHEMBL7928427

SCHEMBL7928427

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL7927568 0.87 ALDH1A1 (0.36) ALDH1A1ALOX15BCL9CTNNB1NLRP3
SCHEMBL7928618 0.86 HIF1A (0.33) ALDH1A1KMT2A
SCHEMBL7927587 0.77
SCHEMBL7924842 0.72 HIF1A (0.33) ALDH1A1KMT2A
SCHEMBL7924706 0.72 ELANE (0.32)
SCHEMBL7924920 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9316362 0.71 ALOX15 (0.32) ALOX15BCL9CTNNB1
SCHEMBL7919199 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL27527169 0.69
SCHEMBL7931125 0.69 TSHR (0.43) ALDH1A1GAAKMT2A

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