SCHEMBL8056648

SCHEMBL8056648

C(C=CCc1ccccc1)=CCc1ccccc1.C[Ti](C)(NC(=O)c1ccccc1)C1C=Cc2ccccc21.[SiH4]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.32
LMNA P02545 3/20 0.30
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL8601079 0.88 MEN1 (0.36) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8060949 0.85 MEN1 (0.32) LMNANPC1RAB9ASMN1; SMN2POLB
Butadiene SCHEMBL8466562 0.84 MEN1 (0.33) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8057554 0.84 GAA (0.39) LMNANPC1RAB9AHPGDPOLB
SCHEMBL8060999 0.83 MEN1 (0.30) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8678439 0.82 MEN1 (0.33) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8465654 0.82 MEN1 (0.33) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8057508 0.82 MEN1 (0.30)
SCHEMBL8063166 0.81 GAA (0.41) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8057584 0.80 SIGMAR1 (0.34) SIGMAR1

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 2 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
US-5491246-A Synthesis of group 4 metal diene complexes THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed