SCHEMBL7878890

SCHEMBL7878890

C/C=C/C=C/Cc1c(C(=O)O)ccc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
CSNK2A1 P68400 1/20 0.38
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 2/20 0.33
KLKB1 P03952 2/20 0.33
CTSB P07858 2/20 0.33
MMP9 P14780 2/20 0.33
PDE4A P27815 1/20 0.33
BLVRB P30043 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL7878898 1.00 SELL (0.44) SELLSELPCSNK2A1HPGDMEN1
SCHEMBL7872617 0.88 SELL (0.44) SELLSELPCSNK2A1HPGDMEN1
SCHEMBL9474914 0.82 HMGB1 (0.35) SELLSELPCSNK2A1HPGDLMNA
SCHEMBL9474910 0.82 HMGB1 (0.35) SELLSELPCSNK2A1HPGDLMNA
2,4-Dihydroxybenzoic Acid SCHEMBL8019740 0.80 CA12 (0.50) SELLSELPHPGDMEN1HTT
SCHEMBL1039492 0.76 PTPN1 (0.50) SELLSELPHPGDMEN1KMT2A
SCHEMBL6526829 0.76 SELL (0.52) SELLSELPCSNK2A1HPGDMEN1
SCHEMBL6132147 0.75 CYP1A2 (0.41) SELLSELPMEN1KMT2AMAPT
SCHEMBL39790 0.73 SELL (0.57) SELLSELPCSNK2A1HPGDMEN1
SCHEMBL1129873 0.73 HMGB1 (0.54) HPGDKMT2ALMNAALDH1A1KDM4E

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
US-6316500-B1 FOR USE IN FOOD, BEVERAGE, COSMETIC, AGRICHEMICAL AND TOPICALLY APPLIED PHARMACEUTICAL FORMULATION FOR PREVENTING MICROORGANISM OR FUNGUS GROWTH ISP INVESTMENTS INC. 2001-11-13 US disclosed