SCHEMBL9702273

SCHEMBL9702273

Cc1cc(CCC(O)I)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SHBG P04278 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL27928023 0.82 PTGS1 (0.48) PTGS1PTGS2CA1CA2SHBG
SCHEMBL4633834 0.79 PTGS1 (0.50) PTGS1PTGS2CA1CA2SHBG
SCHEMBL10366947 0.78 PTGS1 (0.46) PTGS1PTGS2CA1CA2SHBG
SCHEMBL3801816 0.78 PTGS1 (0.68) PTGS1PTGS2CA1CA2SHBG
SCHEMBL8370720 0.76 PTGS1 (0.47) PTGS1PTGS2CA1CA2SHBG
SCHEMBL10834423 0.74 PTGS1 (0.46) PTGS1PTGS2CA1CA2SHBG
SCHEMBL6671173 0.74 PTGS1 (0.46) PTGS1PTGS2CA1CA2SHBG
SCHEMBL8846095 0.73 PTGS2 (0.57) PTGS1PTGS2CA1CA2SHBG
SCHEMBL2570939 0.73 PTGS2 (0.57) PTGS1PTGS2CA1CA2SHBG
SCHEMBL27798205 0.72 PTGS2 (0.47) PTGS1PTGS2CA1CA2SHBG

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-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed