SCHEMBL8677580

SCHEMBL8677580

C=C(C)C(=C)C.O=C(N[Ti]1(C2C3C=CC=CC3C3CCCCC32)CC1)C1CCCCCCCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HSD11B1 P28845 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
SCHEMBL8678565 0.90
Butadiene SCHEMBL8677086 0.89 HDAC8 (0.31) HDAC8HDAC6HSD11B1
SCHEMBL8681372 0.81 HDAC8 (0.32) HDAC8HDAC6
SCHEMBL8678698 0.80 RAB9A (0.33)
SCHEMBL8678558 0.79
SCHEMBL8679227 0.72
SCHEMBL8676598 0.71 HSD11B1 (0.33) HDAC8HDAC6HSD11B1
Butadiene SCHEMBL8677265 0.71 HDAC8 (0.32) HDAC8HDAC6
Butadiene SCHEMBL8678411 0.69 RAB9A (0.34)
SCHEMBL8678242 0.68

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