SCHEMBL7931007

SCHEMBL7931007

CC(C)(C)C(=O)O[Ti]1(OC(=O)C(C)(C)C)C2C(=Cc3ccccc32)CCC2=Cc3ccccc3C21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 2/20 0.31
RIPK1 Q13546 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
NAMPT P43490 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPK14 Q16539 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
SCHEMBL7925489 0.92 LMNA (0.33) LMNAMAPTNPSR1ELANENAMPT
SCHEMBL7927787 0.85 POLB (0.35) LMNA
SCHEMBL7924970 0.84 KCNN4 (0.39)
SCHEMBL7930317 0.81 ELANE (0.31) LMNAMAPTNPSR1ELANE
SCHEMBL7919208 0.81 ALDH1A1 (0.32) ELANE
SCHEMBL7924683 0.80 ELANE (0.31) ELANE
SCHEMBL7924741 0.80 LMNA (0.36) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL7924666 0.79 ALDH1A1 (0.39) LMNA
SCHEMBL7925758 0.78 THRB (0.33)
SCHEMBL7927402 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