SCHEMBL7940104

SCHEMBL7940104

CC(C)COC(=O)OOOC(C)(C)CCC(C)(C)OOOC(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30877065 0.92 TSHR (0.33) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL30877066 0.89 TSHR (0.32) TSHR
SCHEMBL30877068 0.88 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL30877067 0.86 TSHR (0.34) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL7950633 0.85 TSHR (0.38) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL7059830 0.81 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL30018016 0.80 TSHR (0.46) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL8040190 0.77 TSHR (0.41) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL7125831 0.76 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL9752447 0.76

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-6248840-B1 ETHYLENE POLYMER; BLOW MOLDING, CLARITY, HIGH STRENGTH PHILLIPS PETROLEUM COMPANY 2001-06-19 US disclosed
US-5962592-A CROSSLINKING; USING A METALLOCENE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1999-10-05 US disclosed
EP-0870803-A1 A process to produce a crosslinked composition that comprises polymers that comprise ethylene and a crosslinked composition that comprises polymers that comprise ethylene PHILLIPS PETROLEUM COMPANY (US) 1998-10-14 EP disclosed
US-5405915-A Ethylene polymer; crosslinking agent; nonaromatic, cyclic, unsaturated crosslinking co-agent; consistent tensile properties PHILLIPS PETROLEUM COMPANY (US) 1995-04-11 US disclosed