SCHEMBL1898058

SCHEMBL1898058

CC(C)(O)C(=O)c1ccc(CCO)cc1.O=C(c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2J2 P51589 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ESRRG P62508 1/20 0.34
TSHR P16473 1/20 0.34
ADRB2 P07550 1/20 0.34
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
CTSK P43235 1/20 0.33
PPARG P37231 2/20 0.32
FASN P49327 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL21382996 0.89 LMNA (0.40) SMN1; SMN2ADRB2ERCC1ERCC4CTSK
SCHEMBL14797346 0.88 SRC (0.38) CTSKFASNHDAC4
SCHEMBL10841710 0.87 RARB (0.43) TDP1
SCHEMBL3973355 0.83 CYP4A11 (0.41) PPARAHTTSMN1; SMN2TDP1CYP4F2
SCHEMBL154857 0.78 CYP4A11 (0.50) PPARATDP1CYP4F2CYP4A11TSHR
SCHEMBL1553902 0.76 HPGD (0.38) HTTSMN1; SMN2TSHR
SCHEMBL1555398 0.76 HPGD (0.38) SMN1; SMN2TSHR
SCHEMBL4415211 0.75 RXRA (0.36)
SCHEMBL4424000 0.75 DRD2 (0.32)
Methyl Alcohol SCHEMBL28651962 0.75 KDM4E (0.44) TSHRCTSKFASNHDAC4

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-2317565-A1 Heat dissipation sheet for the back face of solar battery module, and solar battery module using the same Keiwa Inc. (JP) 2011-05-04 EP disclosed