SCHEMBL8948907

SCHEMBL8948907

CO/C(=C/C(=O)O)c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ERN1 O75460 2/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL8948913 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EPTGDR2ERN1KMT2A
SCHEMBL7652378 0.87 TSHR (0.43) ALDH1A1KDM4EPTGDR2ERN1KMT2A
SCHEMBL7652380 0.87 TSHR (0.43) ALDH1A1KDM4EPTGDR2ERN1KMT2A
SCHEMBL8948893 0.79 HPGD (0.47) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL8948899 0.79 HPGD (0.47) ALDH1A1KDM4EKMT2ALMNAMEN1
Benzene SCHEMBL28217563 0.79 TSHR (0.55) ALDH1A1KDM4EKMT2ALMNATDP1
SCHEMBL8948935 0.78 LTB4R (0.44) HSD17B10
SCHEMBL9222109 0.78 CA12 (0.56) ALDH1A1KMT2ACA1CA2CA12
SCHEMBL9222114 0.78 CA12 (0.56) ALDH1A1KMT2ACA1CA2CA12
SCHEMBL121356 0.77 LMNA (0.57) ALDH1A1KDM4EKMT2ALMNAMEN1

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