SCHEMBL28347234

SCHEMBL28347234

C=CCCC(=O)C1=CCCC(C)(C)C1.CC(C)=CCC/C(C)=C/CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 6/20 0.40
▸ FNTB P49356 6/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ ICMT O60725 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL112059 0.83 MEN1 (0.33) KMT2AMEN1
Citral SCHEMBL28732309 0.77 ALDH1A1 (0.44) MAPTLSS
SCHEMBL11369860 0.76 MEN1 (0.36) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL21189905 0.72 FAAH (0.31) —
SCHEMBL21837278 0.71 ALDH1A1 (0.37) CYP3A4
SCHEMBL21837277 0.71 ALDH1A1 (0.37) CYP3A4
SCHEMBL11973867 0.71 NPC1 (0.31) CYP3A4
SCHEMBL28847934 0.71 MEN1 (0.32) KMT2AMEN1
SCHEMBL29487265 0.71 NPC1 (0.31) CYP3A4
SCHEMBL17976889 0.70 FAAH (0.39) MAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 — — CN claimed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 — — CN claimed
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 — — CN disclosed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 — — CN disclosed
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