SCHEMBL2783603

SCHEMBL2783603

CCCc1c(C)cccc1OC(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ PGR P06401 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ACHE P22303 1/20 0.45
▸ NCEH1 Q6PIU2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ CXCR5 P32302 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL1836739 0.83 CXCR5 (0.41) ALDH1A1HSD17B10NCEH1CXCR5KDM4E
SCHEMBL5191682 0.77 ALDH1A1 (0.57) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL30989358 0.77 ALDH1A1 (0.57) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL8927729 0.77 ALDH1A1 (0.61) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL20558680 0.76 ALDH1A1 (0.53) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL18178960 0.76 SLC22A12 (0.46) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL18182549 0.75 SLC22A12 (0.43) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL31457122 0.75 TSHR (0.38) ALDH1A1GAAALOX5CXCR5KDM4E
SCHEMBL1836878 0.75 NCEH1 (0.44) ALDH1A1HSD17B10NCEH1LMNAALOX5
SCHEMBL18182816 0.74 SLC22A12 (0.44) ALDH1A1GAAPGRPTGS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3295143-A1 METHOD OF ANALYZING SPRAY PARTICULATES Croda, Inc. (US) 2018-03-21 — — EP disclosed
WO-2016182992-A1 METHOD OF ANALYZING SPRAY PARTICULATES CRODA, INC. (US) 2016-11-17 — — WO disclosed
WO-2010009829-A2 AGRICULTURAL COMPOSITIONS COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 — — WO disclosed
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