SCHEMBL6203556

SCHEMBL6203556

O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)O)CCC2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
GAA P10253 2/20 0.73
HPGD P15428 1/20 0.73
TSHR P16473 1/20 0.73
ESR2 Q92731 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
CNR2 P34972 6/20 0.65
RORC P51449 1/20 0.65
CNR1 P21554 1/20 0.64
KDM4E B2RXH2 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PTPN1 P18031 2/20 0.59
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL23413421 0.86 ALDH1A1 (0.77) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL3988276 0.86 ALDH1A1 (0.97) ALDH1A1GAAHPGDTSHRESR2
SCHEMBL6263808 0.84 CNR2 (0.73) ALDH1A1GAAHPGDTSHRESR2
SCHEMBL6202090 0.83 ALDH1A1 (0.79) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL6203815 0.83 ALDH1A1 (0.79) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL6203540 0.82 ALDH1A1 (0.80) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL6203156 0.81 ALDH1A1 (0.82) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL6200055 0.81 ALDH1A1 (0.82) ALDH1A1GAAHPGDTSHRMEN1
SCHEMBL8288576 0.81 ALDH1A1 (0.71) ALDH1A1GAAHPGDTSHRESR2
SCHEMBL6205045 0.81 ESR2 (0.68) ALDH1A1GAAHPGDTSHRESR2

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-1509514-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2005-03-02 EP claimed
WO-2003101979-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2003-12-11 WO claimed