SCHEMBL19953777

SCHEMBL19953777

COc1cc(CCC(=O)O)c(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
HMGCR P04035 2/20 0.53
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.44
OR51E2 Q9H255 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HTT P42858 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM1A O60341 1/20 0.42
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL5684993 0.87 TRPV1 (0.52) POLBHMGCRNPSR1GAAALDH1A1
SCHEMBL3688663 0.87 TRPV1 (0.52) POLBHMGCRNPSR1GAAALDH1A1
SCHEMBL7827237 0.85 NPSR1 (0.55) POLBHMGCRNPSR1FFAR1FFAR4
SCHEMBL15354654 0.83 NPSR1 (0.59) POLBHMGCRNPSR1GAAALDH1A1
SCHEMBL30871956 0.81 CYP3A4 (0.56) POLBHMGCRNPSR1IMPDH2LMNA
SCHEMBL490437 0.81 CYP3A4 (0.56) POLBHMGCRNPSR1IMPDH2LMNA
SCHEMBL14441618 0.81 POLB (0.51) POLBHMGCRNPSR1FFAR1FFAR4
SCHEMBL3836319 0.80 F13A1 (0.53) POLBHMGCRGAAALDH1A1TSHR
SCHEMBL30873959 0.79 POLB (0.50) POLBHMGCRNPSR1FFAR1FFAR4
SCHEMBL30871976 0.78 NPSR1 (0.56) POLBNPSR1ALDH1A1NFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233836-A1 MEANS AND METHODS TO INCREASE COUMARIN PRODUCTION VIB VZW (BE) 2019-08-01 US disclosed
EP-3510158-A1 MEANS AND METHODS TO INCREASE COUMARIN PRODUCTION VIB VZW (BE) 2019-07-17 EP disclosed
WO-2018046526-A1 MEANS AND METHODS TO INCREASE COUMARIN PRODUCTION VIB VZW (BE) 2018-03-15 WO disclosed