SCHEMBL9726277

SCHEMBL9726277

CCCOC(=O)c1ccc(C(=O)Oc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 8/20 0.51
TSHR P16473 4/20 0.51
ESR1 P03372 2/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
STS P08842 3/20 0.50
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL9726257 0.92 TSHR (0.54) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9726266 0.90 ALDH1A1 (0.54) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9726262 0.89 SMN1; SMN2 (0.50) LMNAALDH1A1ESR1STSMAPT
SCHEMBL9726303 0.87 LMNA (0.54) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL10772847 0.83 ELANE (0.47) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL9726298 0.81 SLC6A3 (0.54) TSHRTDP1STSMAPTKMT2A
SCHEMBL38811 0.81 KMT2A (0.58) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL31098906 0.81 KMT2A (0.58) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9726258 0.80 POLB (0.49) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9732670 0.80 TSHR (0.51) LMNAALDH1A1TSHRESR1TDP1

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