SCHEMBL7956413

SCHEMBL7956413

O=C1OC(c2ccccc2)(c2ccc(-c3ccc(F)cc3)cc2)C(O)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
CYP3A4 P08684 3/20 0.39
TYMS P04818 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSD11B1 P28845 4/20 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
SCHEMBL6932601 0.91 CFTR (0.43) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL6026158 0.85 CFTR (0.50) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL7966642 0.85 CYP1A2 (0.41) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL6026268 0.85 CFTR (0.39) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL7968717 0.84 KIF11 (0.46) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL7965276 0.84 HSPB1 (0.40) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL6026415 0.81 KDM4E (0.47) CYP3A4ALDH1A1LMNAMAPTKMT2A
SCHEMBL6026464 0.81 EGFR (0.43) CFTRGOPCCYP3A4TYMSMEN1
SCHEMBL7968407 0.80 POLB (0.46) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL6026391 0.80 MCL1 (0.42) CFTRGOPCCYP3A4TYMSMEN1

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed