SCHEMBL20534823

SCHEMBL20534823

CCCCc1cccc(C)c1Oc1c(C)cccc1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
PTGER1 P34995 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PPARA Q07869 2/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36

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
SCHEMBL5469972 0.94 LIPG (0.49) LIPGPTGER4PTGER3PTGER2PTGER1
SCHEMBL1925515 0.88 TAAR1 (0.38) PTGER4PTGER3PTGER2PTGER1CYP3A4
SCHEMBL6763527 0.87 ALOX5 (0.47) LIPGPTGER4PTGER3PTGER2PTGER1
Benzene SCHEMBL2995124 0.85 ALOX5 (0.46) LIPGPTGER4PTGER3PTGER2PTGER1
SCHEMBL6304044 0.85 LIPG (0.43) LIPGPTGER4PTGER3PTGER2PTGER1
SCHEMBL8405581 0.83 PTGER4 (0.43) PTGER4PTGER3PTGER2PTGER1CYP3A4
SCHEMBL5458212 0.82 ALOX5 (0.53) LIPGALOX5PTGS2PPARABID
SCHEMBL27456561 0.81 PTPN1 (0.47) LIPGPTGER4PTGER3PTGER2PTGER1
SCHEMBL989968 0.80 PTGER4 (0.48) LIPGPTGER4PTGER3PTGER2PTGER1
SCHEMBL8166933 0.79 GABRA1 (0.44) PTGS2CYP3A4CYP2D6CYP2C9SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609963-A1 A UNIVERSAL COLOURING COMPOSITION Tikkurila Oy (FI) 2020-02-19 EP claimed
WO-2018189426-A1 A UNIVERSAL COLOURING COMPOSITION TIKKURILA OYJ (FI) 2018-10-18 WO claimed
EP-3609963-A1 A UNIVERSAL COLOURING COMPOSITION Tikkurila Oy (FI) 2020-02-19 EP disclosed
WO-2018189426-A1 A UNIVERSAL COLOURING COMPOSITION TIKKURILA OYJ (FI) 2018-10-18 WO disclosed