SCHEMBL27661998

SCHEMBL27661998

COC(=O)c1cc(-c2ccccc2)c(O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.51
▸ GABRA1 P14867 3/20 0.49
▸ GABRG2 P18507 3/20 0.49
▸ GABRB3 P28472 3/20 0.49
▸ GABRA3 P34903 3/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ SLC6A3 Q01959 3/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ S1PR1 P21453 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL24983697 0.81 CFTR (0.51) CFTRLMNATSHRKDM4EMAPT
SCHEMBL3912237 0.79 LDHA (0.54) CFTREGFRLMNALDHASLC6A3
SCHEMBL6636502 0.79 CFTR (0.47) CFTRGABRA1GABRG2GABRB3GABRA3
SCHEMBL8059705 0.79 CFTR (0.53) CFTRGABRA1GABRG2GABRB3GABRA3
SCHEMBL12121707 0.78 GABRA1 (0.62) CFTRGABRA1GABRG2GABRB3GABRA3
SCHEMBL23768065 0.77 CFTR (0.48) CFTRLMNATSHRKDM4EMAPT
SCHEMBL28622866 0.76 ACMSD (0.49) CFTRBACE1
SCHEMBL23754415 0.76 CFTR (0.61) CFTRLMNATSHRKDM4EMAPT
SCHEMBL2242947 0.76 CFTR (0.57) CFTRTSHRALDH1A1KDM4EMAPT
SCHEMBL6639916 0.76 CFTR (0.45) CFTRGABRA1GABRG2GABRB3GABRA3

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-1882323-A Substituted benzofuran oximes WYETH CORP (US) 2006-12-20 — — CN disclosed
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