SCHEMBL9016065

SCHEMBL9016065

O=C(O)CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 3/20 0.50
PPARA Q07869 1/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ESR1 P03372 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL1553164 0.94 TDP1 (0.53) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL11277430 0.93 TDP1 (0.58) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL5852269 0.92 TDP1 (0.54) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL27532648 0.91 TDP1 (0.70) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL4481922 0.91 TDP1 (0.70) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL197444 0.91 TDP1 (0.70) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL2219999 0.91 HTT (0.49) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL12799479 0.89 TDP1 (0.73) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL36009 0.89 TDP1 (0.73) TDP1MAPTNPC1RAB9AALDH1A1
Adipic Acid SCHEMBL28706663 0.89 TSHR (0.64) MAPTNPC1RAB9AALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746454-A1 INTERNAL MOLD RELEASE COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-12-11 EP claimed
WO-1995023056-A1 INTERNAL MOLD RELEASE COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-31 WO claimed