SCHEMBL9726291

SCHEMBL9726291

COC(=O)c1ccc(C(=O)Oc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACR P10323 6/20 0.61
HGFAC Q04756 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
STS P08842 1/20 0.54
PRSS1 P07477 4/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.51
FBP1 P09467 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL5322110 0.89 CA1 (0.62) CA1CA2STSCA12CA9
SCHEMBL6653479 0.88 CA1 (0.61) CA1CA2STSCA12CA9
SCHEMBL7518320 0.86 CA1 (0.72) ACRHGFACCA1CA2STS
SCHEMBL9726280 0.85 ACR (0.56) ACRHGFACCA1CA2STS
SCHEMBL7183003 0.85 ACR (0.65) ACRPRSS1KMT2AMAPTSMN1; SMN2
SCHEMBL14567085 0.85 LMNA (0.59) ACRCA1CA2PRSS1CA12
Isobutane SCHEMBL27943354 0.84 CA1 (0.57) CA1CA2STSCA12CA9
SCHEMBL8899186 0.83 MAPT (0.67) ACRPRSS1KMT2AMAPTALDH1A1
SCHEMBL2490813 0.83 PARP10 (0.59) ACRPRSS1KMT2ARAB9AMAPT
Trimethylammonium SCHEMBL9550812 0.83 PRSS1 (0.62) ACRPRSS1KMT2AMAPTALDH1A1

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-5078907-A UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-01-07 US disclosed