SCHEMBL9745444

SCHEMBL9745444

CCOC(=O)C(CC)C(=O)OC(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.44
GUSB P08236 1/20 0.39
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
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
RECQL P46063 1/20 0.38

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
SCHEMBL2549970 0.81 LMNA (0.60) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL27458784 0.81 SMN1; SMN2 (0.33) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL9221236 0.76 HPGD (0.48) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL10841935 0.74 HPGD (0.36) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL8335693 0.73 CYP4F2 (0.53) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL9224306 0.73 CYP1A2 (0.51) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL9187616 0.72 POLB (0.45) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL9248670 0.72 CYP1A2 (0.60) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL27446237 0.72 ALDH1A1 (0.37) HPGDLMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL8117654 0.71 HTT (0.37) HPGDMAPTSMN1; SMN2GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093515-A Intermediate for quinolone carboxylic acid bactericide ASAHI GLASS COMPANY LTD. (JP) 1992-03-03 US disclosed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP disclosed