SCHEMBL8677299

SCHEMBL8677299

C=C(C)C(=C)C.O=CN[Ti]1(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
NOTUM Q6P988 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 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
Butadiene SCHEMBL8678594 0.87 HDAC3 (0.31) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8681257 0.86 MAPT (0.32) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8678392 0.79 POLB (0.33) POLBKMT2AHDAC3HDAC4HDAC7
SCHEMBL8678560 0.76 SIGMAR1 (0.32)
SCHEMBL8678235 0.74 CYP2C19 (0.41) HDAC3LMNA
SCHEMBL8466034 0.70 POLB (0.35) POLBKMT2AHDAC3HDAC4HDAC7
Butadiene SCHEMBL8678330 0.69 GPR3 (0.31)
SCHEMBL8678600 0.68 POLB (0.30) POLB
SCHEMBL8676956 0.68 ATM (0.31) MAPT
Butadiene SCHEMBL8681354 0.67 MEN1 (0.37) POLBKMT2AHDAC3HDAC4HDAC7

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
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed