SCHEMBL10428575

SCHEMBL10428575

COCCN(Cc1ccc(OC)cc1)C(=O)C(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX12 P18054 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LDHA P00338 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
APLNR P35414 1/20 0.41
ACHE P22303 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10428523 0.87 ALDH1A1 (0.48) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL5477997 0.85 ALDH1A1 (0.51) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL9781403 0.84 TSPO (0.51) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL9781285 0.83 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2NPSR1MEN1
SCHEMBL10824297 0.82 ALDH1A1 (0.62) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL9781408 0.81 ALDH1A1 (0.47) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL10598874 0.78 MEN1 (0.44) TSHRALDH1A1SMN1; SMN2NPSR1MEN1
Teclozan SCHEMBL635666 0.78 ALDH1A1 (0.43) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL9781395 0.76 ALDH1A1 (0.43) TSHRUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL9781284 0.75 PSEN1 (0.51) TSHRUSP2ALDH1A1HTTSMN1; SMN2

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
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed