SCHEMBL28932506

SCHEMBL28932506

CC(O)COc1ccccc1.CCCCOCCCCCCOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ PLA2G4B P0C869 3/20 0.49
▸ TSHR P16473 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ FAAH O00519 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 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
Acetic Acid SCHEMBL28932507 0.83 LMNA (0.54) LMNAPLA2G4BTSHRRECQLFAAH
SCHEMBL20590367 0.83 LMNA (0.69) LMNAPLA2G4BTSHRRECQLALDH1A1
Acetic Acid Butyl Ester SCHEMBL27968251 0.81 LTA4H (0.62) PLA2G4BTSHRFAAHALDH1A1TP53
Ethyl Acetate SCHEMBL4395004 0.80 LMNA (0.69) LMNAALDH1A1MTNR1AMTNR1B
SCHEMBL28833768 0.78 KCNA3 (0.59) RECQLMTNR1AMTNR1B
Acetic Acid Pentyl Ester SCHEMBL27678838 0.77 ALDH1A1 (0.60) TSHRALDH1A1
Acetic Acid SCHEMBL3252060 0.77 LMNA (0.85) LMNAMTNR1AMTNR1B
SCHEMBL298588 0.76 POLB (0.53) LMNAPLA2G4BTSHRFAAHTP53
Diphenylether SCHEMBL3558137 0.75 LTA4H (0.62) LMNATSHRALDH1A1TP53LTA4H
SCHEMBL911219 0.75 ALDH1A1 (0.55) TSHRALDH1A1

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
CN-115419117-A Pre-paved waterproof coiled material 北京东方雨虹防水技术股份有限公司 2022-12-02 — — CN disclosed
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