SCHEMBL29447771

SCHEMBL29447771

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CCC)CCCCCC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.71
▸ TSHR P16473 5/20 0.71
▸ LMNA P02545 3/20 0.71
▸ CYP3A4 P08684 3/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ TP53 P04637 1/20 0.68
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA2 P00918 1/20 0.49
▸ CNR2 P34972 1/20 0.45

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
SCHEMBL27937622 0.97 ALDH1A1 (0.75) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29447720 0.96 ALDH1A1 (0.73) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29447731 0.92 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4797459 0.92 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11615592 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10647341 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28691686 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5705961 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL17141941 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL667898 0.90 ALDH1A1 (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1

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
US-11945932-B2 Plasticizer for halogen resins KAO CORPORATION (JP) 2024-04-02 — — US claimed
EP-3763778-B1 PLASTICIZER FOR HALOGEN RESINS KAO CORP (JP) 2022-08-17 — — EP claimed
CN-111819233-B Plasticizer for halogen-based resin 花王株式会社 2022-03-15 — — CN claimed
US-11945932-B2 Plasticizer for halogen resins KAO CORPORATION (JP) 2024-04-02 — — US disclosed
EP-3763778-B1 PLASTICIZER FOR HALOGEN RESINS KAO CORP (JP) 2022-08-17 — — EP disclosed
CN-111819233-B Plasticizer for halogen-based resin 花王株式会社 2022-03-15 — — CN disclosed
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