SCHEMBL8948905

SCHEMBL8948905

CO/C(=C/C(=O)O)c1ccccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.38
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8948909 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL7705763 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL7705766 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL8948923 0.79 HTT (0.40) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL8948899 0.77 HPGD (0.47) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL8948893 0.77 HPGD (0.47) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL104703 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL30945155 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL7955212 0.76 ALDH1A1 (0.38) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL9222114 0.76 CA12 (0.56) ALDH1A1HTTSMN1; SMN2GAAKMT2A

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed