SCHEMBL11400055

SCHEMBL11400055

C[C@@H](C/C=C/C(=O)COc1cccc(Cl)c1)CCCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ OGG1 O15527 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35

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
SCHEMBL11392990 0.87 PPARA (0.40) POLBKDM4EMAOBALDH1A1
SCHEMBL11395063 0.87 MAPT (0.39) ALDH1A1
SCHEMBL11391897 0.81 KMT2A (0.41) POLBKDM4EGAAPPARGPPARD
SCHEMBL11396435 0.80 GPR52 (0.37) ALDH1A1FFAR1
SCHEMBL11407909 0.76 HPGD (0.46) GAAALDH1A1
SCHEMBL11393634 0.73 GPR52 (0.37) GAAPPARGALDH1A1
SCHEMBL11394250 0.72 MAPT (0.39) POLBALDH1A1
SCHEMBL11395959 0.71 AKT1 (0.46) MAOBALDH1A1
SCHEMBL11398878 0.71 SLC6A2 (0.37) ALDH1A1MC4R
SCHEMBL11391703 0.70 GPR52 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US claimed
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US disclosed
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