SCHEMBL8948923

SCHEMBL8948923

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
NR4A2 P43354 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
FOLH1 Q04609 1/20 0.36
TBXAS1 P24557 2/20 0.35
AKR1C3 P42330 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.34
CLCN2 P51788 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8948883 0.82 TSHR (0.48) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8948890 0.82 TSHR (0.48) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL7955212 0.80 ALDH1A1 (0.38) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8949039 0.80 HTT (0.41) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8948905 0.79 ALDH1A1 (0.43) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8948909 0.79 ALDH1A1 (0.43) HTTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8999345 0.78 PTPN1 (0.40) KDM4EFOLH1AKR1C3ALOX15HPGD
SCHEMBL8227007 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAFOLH1ALOX15
SCHEMBL29119468 0.77 ALDH1A1 (0.61) HTTALDH1A1KDM4ENR4A2NR4A1
SCHEMBL1263086 0.77 ALDH1A1 (0.39) HTTALDH1A1KDM4ECYP2C19LMNA

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