SCHEMBL19856519

SCHEMBL19856519

CCCCCC(CC)(CC)OC(=O)c1cccc(C(=O)OC(CC)(CC)CCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 3/20 0.39
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19856520 0.94 PLA2G4B (0.44) NPC1CYP2C9RAB9A
SCHEMBL29716211 0.89 CYP2D6 (0.49) CYP1A2CYP2C19CYP2D6SCN5AALDH1A1
SCHEMBL690293 0.87 ALDH1A1 (0.44) SMN1; SMN2CYP1A2CYP2C19NPC1CYP2C9
SCHEMBL2764270 0.87 THRA (0.40) NPC1RAB9A
SCHEMBL5368592 0.85 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C19CYP2D6CYP4F2
SCHEMBL4946472 0.85 PLA2G4B (0.46)
SCHEMBL27624844 0.85 HDAC3 (0.47) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL10004451 0.84 TSHR (0.46) SMN1; SMN2CYP1A2CYP2C19NPC1HPGD
SCHEMBL29663544 0.82 TP53 (0.47)
SCHEMBL270602 0.82 TP53 (0.47)

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-3281975-B1 RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION, AND PREPARATION METHOD THEREFOR LG CHEMICAL LTD (KR) 2021-03-03 EP claimed
US-10259929-B2 Resin composition including plasticizer composition, and methods for preparing the same LG CHEM, LTD. (KR) 2019-04-16 US claimed
US-20180291179-A1 RESIN COMPOSITION INCLUDING PLASTICIZER COMPOSITION, AND METHODS FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2018-10-11 US claimed
EP-3281975-A1 RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION, AND PREPARATION METHOD THEREFOR LG Chem, Ltd. (KR) 2018-02-14 EP claimed
EP-3281975-B1 RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION, AND PREPARATION METHOD THEREFOR LG CHEMICAL LTD (KR) 2021-03-03 EP disclosed
US-10259929-B2 Resin composition including plasticizer composition, and methods for preparing the same LG CHEM, LTD. (KR) 2019-04-16 US disclosed
US-20180291179-A1 RESIN COMPOSITION INCLUDING PLASTICIZER COMPOSITION, AND METHODS FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2018-10-11 US disclosed
EP-3281975-A1 RESIN COMPOSITION COMPRISING PLASTICIZER COMPOSITION, AND PREPARATION METHOD THEREFOR LG Chem, Ltd. (KR) 2018-02-14 EP disclosed