SCHEMBL7717088

SCHEMBL7717088

O=C(O)CC(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 5/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GPR35 Q9HC97 1/20 0.40
P2RX1 P51575 1/20 0.39
MAPT P10636 1/20 0.39
ACP1 P24666 1/20 0.38
SCN9A Q15858 3/20 0.38
TACR1 P25103 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SOD1 P00441 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
SCHEMBL15765770 0.91 CES2 (0.47) LMNARXRARXRBRXRGCES2
SCHEMBL28327548 0.83 KDM4E (0.54) LMNAALDH1A1MAPTKDM4E
SCHEMBL9492308 0.82 KIF11 (0.53) LMNACES2ALDH1A1MAPT
SCHEMBL15763985 0.81 MAPT (0.44) LMNARXRARXRBRXRGCES2
SCHEMBL2191360 0.80 ESR1 (0.44) LMNARXRARXRBRXRGCES2
SCHEMBL29000619 0.80 CES2 (0.44) LMNARXRARXRBRXRGCES2
SCHEMBL7647561 0.79 CES2 (0.50) LMNARXRARXRBRXRGCES2
Butane SCHEMBL1043809 0.79 FAAH (0.53) LMNAALDH1A1MAPTKDM4E
SCHEMBL12758761 0.77 CES2 (0.41) LMNARXRARXRBRXRGCES2
SCHEMBL1996035 0.77 BCL9 (0.44) LMNARXRARXRBRXRGCES2

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
CN-116731070-A Asymmetric catalytic synthesis method and application of chiral secondary phosphorus oxide and chiral aza-arene substituted tertiary phosphorus oxide 河南工业大学 2023-09-12 CN disclosed
US-6395921-B1 DEPROTINATION, COPPER SALT AND DILUENTS, HYDROLYSIS AND DECARBOXYLATION BAYER AKTIENGESELLSCHAFT (DE) 2002-05-28 US disclosed