SCHEMBL7872617

SCHEMBL7872617

CC=CC=CCc1c(O)ccc(C(=O)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
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
PTPN1 P18031 3/20 0.39
DHODH Q02127 1/20 0.39
TYR P14679 2/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A1 P68400 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34
PTGS1 P23219 2/20 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
2,4-Dihydroxybenzoic Acid SCHEMBL8019740 0.91 CA12 (0.50) SELLSELPMAPTMEN1KMT2A
SCHEMBL7878890 0.88 SELL (0.44) SELLSELPMAPTMEN1KMT2A
SCHEMBL7878898 0.88 SELL (0.44) SELLSELPMAPTMEN1KMT2A
SCHEMBL9474910 0.79 HMGB1 (0.35) SELLSELPMAPTHPGDLMNA
SCHEMBL9474914 0.79 HMGB1 (0.35) SELLSELPMAPTHPGDLMNA
SCHEMBL1129873 0.76 HMGB1 (0.54) KMT2AHPGDLMNAPTPN1ALDH1A1
SCHEMBL2925754 0.76 SELL (0.52) SELLSELPMAPTMEN1KMT2A
SCHEMBL31336021 0.73 SELL (0.57) SELLSELPMAPTMEN1KMT2A
SCHEMBL9874859 0.73 SELL (0.57) SELLSELPMAPTMEN1KMT2A
SCHEMBL7876091 0.73 CA12 (0.43) MAPTMEN1KMT2AHPGDPTPN1

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