SCHEMBL8063166

SCHEMBL8063166

C[Ti](C)(NC(=O)c1ccccc1)C1C=Cc2ccccc21.Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1.[SiH4]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 6/20 0.35
POLB P06746 2/20 0.35
PTGS2 P35354 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL8057554 0.95 GAA (0.39) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL8601079 0.88 MEN1 (0.36) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL8060949 0.85 MEN1 (0.32) MEN1KMT2AMAPK1MAPTNPC1
Butadiene SCHEMBL8466562 0.84 MEN1 (0.33) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL8060999 0.83 MEN1 (0.30) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8465654 0.82 MEN1 (0.33) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL8678439 0.82 MEN1 (0.33) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL8057508 0.82 MEN1 (0.30) MEN1KMT2A
SCHEMBL8056648 0.81 SIGMAR1 (0.32) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8056636 0.80 MEN1 (0.30) MEN1KMT2A

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-0822937-B1 SYNTHESIS OF GROUP 4 METAL DIENE COMPLEXES DOW CHEMICAL CO (US) 2000-05-17 EP disclosed
EP-0822937-A1 SYNTHESIS OF GROUP 4 METAL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1998-02-11 EP disclosed
WO-1996034001-A1 SYNTHESIS OF GROUP 4 METAL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-10-31 WO disclosed