SCHEMBL28295722

SCHEMBL28295722

C=C(Cc1cccc(OC)c1)C(=O)OCCl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTBP2 P56545 1/20 0.50
CYP1A2 P05177 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP13 P45452 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
RAB9A P51151 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7341455 0.87 CTBP2 (0.51) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL29846895 0.87 CTBP2 (0.51) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL27761857 0.85 CTBP2 (0.55) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL7293162 0.81 CTBP2 (0.64) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL28293810 0.81 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL3005839 0.79 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL211498 0.79 CTBP2 (0.60) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL4071390 0.78 CTBP2 (0.64) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL8252472 0.76 CTBP2 (0.53) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2
SCHEMBL31618812 0.76 CTBP2 (0.60) ALDH1A1HTTSMN1; SMN2CTBP2CYP1A2

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
CN-109678804-A A method of preparing fluacrypyrim 柳州市惠农化工有限公司 2019-04-26 CN disclosed