SCHEMBL5162436

SCHEMBL5162436

CCCCC(Oc1ccc(C(=O)OC)cc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
CASP1 P29466 1/20 0.51
MGLL Q99685 1/20 0.49
MAPT P10636 4/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ESR1 P03372 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
ERAP2 Q6P179 2/20 0.43

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
SCHEMBL21991757 0.87 TAS1R3 (0.52) CA1CA2
SCHEMBL13572608 0.85 ELANE (0.47) RAB9AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21103822 0.84 PPARA (0.52) CA1CA2CYP1A2TSHRCYP2C19
SCHEMBL21991787 0.84 MGLL (0.46) MGLLCA1CA2SMN1; SMN2MEN1
SCHEMBL21991748 0.84 PPARG (0.44) MAPTCA1CA2SMN1; SMN2LMNA
SCHEMBL21991747 0.84 PPARA (0.52) CA1CA2CYP1A2TSHRCYP2C19
SCHEMBL21991770 0.84 HPGD (0.50) CYP1A2TSHRCYP2C19CYP2D6CYP2C9
SCHEMBL11858517 0.84 PPARG (0.50) CA1CA2LMNATSHRHPGD
SCHEMBL7814101 0.83 CTRC (0.54) RAB9ANPC1CASP1MGLLMAPT
SCHEMBL9329257 0.83 TP53 (0.55) KMT2ATSHR

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-1618157-B1 USE OF POLYANHYDRIDES IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2007-03-14 EP disclosed