SCHEMBL7925544

SCHEMBL7925544

CC(C)(C)C(=O)O[Ti](OC(=O)C(C)(C)C)(OC(=O)C(C)(C)C)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7927802 0.88 ELANE (0.33) ELANEMAPTLMNANPSR1POLB
SCHEMBL7919128 0.83 POLB (0.41) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7925614 0.83 KCNN4 (0.41) MEN1KMT2A
SCHEMBL7925610 0.79 RET (0.37) ELANELMNAMEN1KMT2APOLB
SCHEMBL7928317 0.78 POLB (0.34) ELANEMEN1KMT2APOLB
SCHEMBL7928436 0.78 LMNA (0.39) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL7927256 0.77 RET (0.36) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7925031 0.77 THRB (0.32)
SCHEMBL7919144 0.77 ATM (0.31)
SCHEMBL7927122 0.75 POLB (0.42) MAPTLMNAMEN1KMT2APOLB

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