SCHEMBL2857103

SCHEMBL2857103

C#CCOc1cccc(C=O)c1[AsH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 2/20 0.37
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 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
SCHEMBL825342 0.83 ALDH1A1 (0.66) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29953636 0.83 ALDH1A1 (0.66) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29263864 0.81 HPGD (0.44) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL4442714 0.78 CA2 (0.49) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29656806 0.78 HPGD (0.42) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL31409749 0.78 CYP3A4 (0.47) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL25425235 0.76 ALDH1A1 (0.40) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29470912 0.73 TSHR (0.42) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL28379385 0.73 CYP3A4 (0.42) HPGDALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL25427280 0.71 CA2 (0.38) HPGDALDH1A1HTTSMN1; SMN2CYP3A4

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
EP-2247743-A2 MODIFIED LEPTIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2010-11-10 EP disclosed
WO-2009100255-A2 MODIFIED LEPTIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2009-08-13 WO disclosed