SCHEMBL8740973

SCHEMBL8740973

O=C(O)CC(=O)OC(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
FABP4 P15090 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27475224 0.81 ALDH1A1 (0.39) GPR17MEN1KMT2AGAALMNA
SCHEMBL8740997 0.80 GPR17 (0.40) GPR17MEN1KMT2AHPGDTSHR
SCHEMBL10587303 0.78 CA1 (0.33) KMT2AGAALMNASMN1; SMN2TSHR
Butane SCHEMBL9745432 0.72 CYP1A2 (0.51) KMT2AGAALMNAMAPTHPGD
SCHEMBL8160354 0.72 CES2 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL27458784 0.70 SMN1; SMN2 (0.33) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL6218390 0.70 ALDH1A1 (0.40) GPR17MEN1KMT2AMAPTHPGD
SCHEMBL27475223 0.70 KDM4E (0.40) MEN1KMT2AGAALMNAMAPT
SCHEMBL9135633 0.68 HTT (0.32) GAATSHR
SCHEMBL10551457 0.68 KEAP1 (0.57) KMT2AGAALMNAMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed