SCHEMBL21580995

SCHEMBL21580995

CCCC(O)(CCC)c1cc(OC(=O)C2(CC(C)(C)C)CC2(C)C)cc(C(O)(CCC)CCC)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21581004 0.84 — —
SCHEMBL12086586 0.77 KMT2A (0.32) ALDH1A1HTT
SCHEMBL21580992 0.68 ELANE (0.38) ALDH1A1HRH3ATMLMNAHTT
SCHEMBL14051447 0.66 POLB (0.38) ALDH1A1ATMLMNA
SCHEMBL12344594 0.66 TSHR (0.33) LMNATSHR
SCHEMBL24859815 0.65 ELANE (0.35) ALDH1A1
SCHEMBL24952448 0.65 ALDH1A1 (0.44) ALDH1A1ATMLMNATSHRSMN1; SMN2
SCHEMBL12250052 0.64 CYP4F2 (0.30) —
SCHEMBL14998984 0.64 — —
SCHEMBL13360966 0.64 ALDH1A1 (0.31) ALDH1A1TSHR

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
EP-3572876-A1 MONOMER, POLYMER, NEGATIVE RESIST COMPOSITION, PHOTOMASK BLANK, AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2019-11-27 — — EP disclosed
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