SCHEMBL3697238

SCHEMBL3697238

CC(C)c1cc(-c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)n2)cc(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PAX8 Q06710 1/20 0.36
NOD2 Q9HC29 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
HDAC4 P56524 2/20 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
SCHEMBL3626772 0.85 CTSS (0.50) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL3632151 0.80 RAB9A (0.52) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL21076103 0.75 MEN1 (0.47) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL23948695 0.75 CTSS (0.46) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL12269982 0.75 CCR1 (0.52) CTSSCTSKRXRARXRBRXRG
SCHEMBL9704476 0.74 MEN1 (0.50) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL12311578 0.74 PFKFB3 (0.35) KMT2AMAPTPOLBHSD17B10CTSS
SCHEMBL1102459 0.74 KDM4E (0.48) RAB9AMAPTALDH1A1HPGDPOLB
SCHEMBL22260534 0.74 CYP19A1 (0.46) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL8676319 0.73 RXRA (0.56) MAPTALDH1A1HPGDCTSSCTSK

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-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed