SCHEMBL8948883

SCHEMBL8948883

COC(=O)/C=C(\C)c1ccccc1CBr

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.36
KCNA5 P22460 1/20 0.35
CTSD P07339 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
CFTR P13569 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8948890 1.00 TSHR (0.48) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL7705766 0.84 ALDH1A1 (0.42) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL7705763 0.84 ALDH1A1 (0.42) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL8948921 0.84 TSHR (0.48) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL8948917 0.84 TSHR (0.48) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL8948923 0.82 HTT (0.40) ALDH1A1LMNAHPGDKDM4ECYP1A2
SCHEMBL9510853 0.79 TSHR (0.51) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL9510864 0.79 TSHR (0.51) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL17755154 0.77 TSHR (0.53) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL104703 0.76 ALDH1A1 (0.67) TSHRALDH1A1LMNAKDM4EKMT2A

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-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed