SCHEMBL2329256

SCHEMBL2329256

Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ KIF11 P52732 4/20 0.47
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ RXRB P28702 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ DGAT1 O75907 1/20 0.40

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
SCHEMBL22679506 0.87 POLB (0.47) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL8954034 0.84 ALDH1A1 (0.82) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL4322427 0.79 KIF11 (0.61) ALDH1A1TSHRTP53TDP1KIF11
SCHEMBL23319641 0.79 KIF11 (0.61) ALDH1A1TSHRTP53TDP1KIF11
SCHEMBL2231480 0.79 POLB (0.94) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL18161362 0.79 KIF11 (0.47) ALDH1A1TSHRTP53CYP3A4KIF11
SCHEMBL7240621 0.79 NPC1 (0.49) POLBALDH1A1TSHRTP53KIF11
SCHEMBL25515089 0.78 KIF11 (0.50) ALDH1A1TSHRTP53KIF11NPC1
SCHEMBL21678295 0.78 KIF11 (0.45) POLBALDH1A1TSHRTP53TDP1
SCHEMBL23040384 0.78 KIF11 (0.45) POLBALDH1A1TSHRTP53CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614410-B1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2011-08-10 — — EP disclosed
US-7538172-B2 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2009-05-26 — — US disclosed
EP-1614410-A1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins Ivoclar Vivadent AG (LI) 2006-01-11 — — EP disclosed
US-20060004158-A1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2006-01-05 — — US disclosed
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