SCHEMBL9856535

SCHEMBL9856535

CCCCOC(=O)c1ccc(C(=O)Oc2ccccc2)cc1.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
KMT2A Q03164 4/20 0.63
HPGD P15428 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 3/20 0.62
TSHR P16473 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
ESR1 P03372 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
NR1H2 P55055 1/20 0.62
RNASEL Q05823 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
PDE4D Q08499 1/20 0.60
THRB P10828 1/20 0.59
STS P08842 5/20 0.57

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
SCHEMBL11856660 0.98 MAPT (0.64) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL9856537 0.94 MAPT (0.67) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL22462710 0.94 MAPT (0.67) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL9856538 0.94 MAPT (0.67) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL9856943 0.93 MAPT (0.73) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL10344348 0.92 LMNA (0.72) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL9856921 0.91 LMNA (0.72) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL27872796 0.89 LMNA (0.74) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL19373810 0.89 MAPT (0.71) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL23553004 0.88 LMNA (0.77) MAPTKMT2AHPGDALDH1A1MEN1

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
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP claimed