SCHEMBL1020868

SCHEMBL1020868

O=C(OCCC1CCCCC1)c1ccccc1C(=O)OCCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 5/20 0.50
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
CHRM5 P08912 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
TDP1 Q9NUW8 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL21526710 0.91 TDP1 (0.59) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL8631145 0.90 TSHR (0.54) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL28219423 0.86 ALDH1A1 (0.49) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL6391140 0.86 CHRM2 (0.43) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL28803760 0.85 TDP1 (0.56) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28117877 0.85 CHRM2 (0.51) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL14882899 0.84 CHRM2 (0.44) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL14882898 0.83 NPC1 (0.46) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL9002096 0.83 CHRNB4 (0.53) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL250654 0.83 KMT2A (0.47) ALDH1A1TSHRCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137227-B1 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE SABIC INNOVATIVE PLASTICS IP (NL) 2011-09-28 EP disclosed
EP-2137228-B1 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE SABIC INNOVATIVE PLASTICS IP (NL) 2011-01-12 EP disclosed
EP-2137228-A2 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE Sabic Innovative Plastics IP B.V. (NL) 2009-12-30 EP disclosed
EP-2137227-A2 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE Sabic Innovative Plastics IP B.V. (NL) 2009-12-30 EP disclosed
WO-2009044283-A2 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-04-09 WO disclosed
WO-2009037574-A2 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-03-26 WO disclosed
US-20080242783-A1 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE CITIBANK, N.A., AS COLLATERAL AGENT 2008-10-02 US disclosed
US-20080242784-A1 POLYESTER COMPOSITIONS HAVING IMPROVED HEAT RESISTANCE CITIBANK, N.A., AS COLLATERAL AGENT 2008-10-02 US disclosed