SCHEMBL7944996

SCHEMBL7944996

CCc1cc(C(=O)OCCO)cc(C(C)(C)CC(C)(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
THPO P40225 2/20 0.39
MTOR P42345 2/20 0.39
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PMP22 Q01453 2/20 0.38
SLC29A1 Q99808 6/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCC4 O15439 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7940414 0.90 SLC29A1 (0.38) CYP3A4CYP2D6THPOMTORSCN1A
SCHEMBL7941343 0.88 SCN1A (0.40) CYP3A4CYP2D6THPOMTORSCN1A
SCHEMBL7933935 0.87 SLC29A1 (0.39) CYP3A4CYP2D6THPOMTORSCN1A
SCHEMBL7944998 0.87 ESR1 (0.40) ESR1
SCHEMBL7933777 0.86 ESR1 (0.41) CYP3A4CYP2D6THPOMTORSCN1A
SCHEMBL7933960 0.85 ESR1 (0.43) CYP2D6LMNASMN1; SMN2TSHRMAPK1
SCHEMBL7796420 0.82 TPMT (0.39) MEN1KMT2ATSHR
SCHEMBL7942500 0.79 KMT2A (0.37) CYP3A4KMT2ASMN1; SMN2
SCHEMBL7943237 0.79 TNFRSF1A (0.40) CYP3A4CYP2D6THPOMTORSCN1A
SCHEMBL7943051 0.78 HDAC6 (0.48) MEN1KMT2ASMN1; SMN2TSHRMAPK1

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed