SCHEMBL22986758

SCHEMBL22986758

CC(I)C(=O)Oc1ccc(C(O)O)c(OC(=O)C(C)I)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LPAR1 Q92633 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22279612 0.78 KDM4E (0.59) ELANEKDM4ETDP1ALDH1A1
SCHEMBL25948397 0.73 ELANE (0.36) ELANEKDM4ELMNAALOX15GAA
SCHEMBL22279610 0.72 CA12 (0.35) ELANEKDM4EALDH1A1ALOX15GAA
SCHEMBL14270896 0.71 ALOX15 (0.46) ELANEKDM4EALDH1A1ALOX15GAA
SCHEMBL23870908 0.69 ELANE (0.47) ELANEKDM4ELMNATDP1ALDH1A1
SCHEMBL21276510 0.69 ELANE (0.53) ELANELMNATDP1ALDH1A1ALOX15
SCHEMBL22279461 0.68 KMT2A (0.56) ELANEALDH1A1
SCHEMBL23870906 0.68 CYP3A4 (0.47) LMNAALDH1A1
SCHEMBL22279462 0.68 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL22279456 0.68 ALDH1A1 (0.49) ELANEKDM4ELMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210048746-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-18 — — US disclosed
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