SCHEMBL7220587

SCHEMBL7220587

CS(=O)(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL7224666 0.95 USP2 (0.50) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL5492038 0.93 USP2 (0.48) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL22673043 0.93 TSHR (0.54) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7236663 0.87 USP2 (0.60) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL4473443 0.85 MMP9 (0.41) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7236428 0.85 TSHR (0.58) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL6938057 0.85 TSHR (0.58) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL11247741 0.85 TSHR (0.58) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL2929806 0.81 USP2 (0.56) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL2244078 0.81 TSHR (0.52) USP2TSHRKDM4EALDH1A1LMNA

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
US-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed