SCHEMBL8464368

SCHEMBL8464368

CCCCCOCC(COC)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.40
▸ CES1 P23141 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APAF1 O14727 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRB2 P07550 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
SCHEMBL8466133 0.93 LTA4H (0.44) LTA4HCES1PTPN1TSHRTP53
SCHEMBL8464055 0.81 KCNN4 (0.38) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL235054 0.80 MAPK1 (0.42) CES1TSHRMAPK1ALDH1A1
SCHEMBL11133821 0.80 LTA4H (0.44) LTA4HCES1PTPN1TSHRTP53
SCHEMBL9228912 0.77 ALDH1A1 (0.42) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL16367918 0.75 CES1 (0.49) LTA4HCES1TSHRTP53CYP3A4
SCHEMBL1722311 0.75 CES1 (0.49) LTA4HCES1TSHRTP53CYP3A4
Ammonia Solution, Strong SCHEMBL1723857 0.74 CES1 (0.47) LTA4HCES1TSHRTP53CYP3A4
Tert-Butylbenzene SCHEMBL7124304 0.74 LTA4H (0.46) LTA4HTSHRTP53CYP3A4MAPK1
SCHEMBL5086250 0.73 ALDH1A1 (0.38) MAPK1ALDH1A1LMNACHRM3KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 — — EP claimed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 — — EP claimed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 — — EP claimed
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 — — EP disclosed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 — — EP disclosed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 — — EP disclosed
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