SCHEMBL4732247

SCHEMBL4732247

CCCCC(CC)CC(C(=O)O)=C(OOC(C)(C)CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CA2 P00918 7/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4732240 1.00 CYP3A4 (0.35) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4783452 0.91 CYP3A4 (0.35) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4783443 0.91 CYP3A4 (0.35) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4732190 0.89 CYP3A4 (0.37) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4732187 0.89 CYP3A4 (0.37) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4729107 0.81 ALDH1A1 (0.41) CYP3A4TSHRCA2MAPK1ALDH1A1
SCHEMBL4729114 0.81 ALDH1A1 (0.41) CYP3A4TSHRCA2MAPK1ALDH1A1
SCHEMBL4733217 0.79 FNTA (0.39) ALDH1A1
SCHEMBL4733215 0.79 FNTA (0.39) ALDH1A1
SCHEMBL4733390 0.76 FNTA (0.47) TSHRTDP1ALDH1A1

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
US-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US disclosed
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed
EP-0785964-B1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS DOW CHEMICAL CO (US) 1999-04-14 EP disclosed
US-5830924-A LOW DENSITY CLOSED CELL, BLOWING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-11-03 US disclosed