SCHEMBL7044008

SCHEMBL7044008

COCCCCCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
MPO P05164 5/20 0.47
SLC6A4 P31645 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSPA5 P11021 1/20 0.43
HTR1A P08908 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
BID P55957 4/20 0.41
MCL1 Q07820 4/20 0.41
BCL2L1 Q07817 3/20 0.41
BAK1 Q16611 3/20 0.41

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
SCHEMBL30368095 0.98 MPO (0.49) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL2150980 0.92 MPO (0.50) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL2772333 0.84 TAAR1 (0.54) MPOSLC6A4TAAR1HSPA5HTR1A
SCHEMBL8402231 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8400524 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8401980 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL28176757 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8398317 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8401990 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL28318473 0.83 ALOX5 (0.53) BIDMCL1BCL2L1BAK1

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
WO-2004071194-A2 ENHANCING THE FRAGRANCE OF AN ARTICLE UNIVERSITY OF FLORIDA (US) 2004-08-26 WO disclosed
EP-0543188-B1 Resins for pigment pastes BASF LACKE & FARBEN (DE) 1996-03-13 EP disclosed
US-5384386-A Synthetic resins BASF LACKE & FARBEN AG (DE) 1995-01-24 US disclosed
EP-0543188-A1 Resins for pigment pastes BASF Lacke + Farben AG (DE) 1993-05-26 EP disclosed