SCHEMBL19901911

SCHEMBL19901911

COC[C@H]1OC(C(C)C)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
OGA O60502 1/20 0.37
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
PYGB P11216 1/20 0.32

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
SCHEMBL14051176 1.00 FBP1 (0.38) FBP1OGAFYNMAOASLC6A2
SCHEMBL22652623 0.83 FBP1 (0.46) FBP1OGAPRKD3PRKCGPRKCB
SCHEMBL18081360 0.83 FBP1 (0.46) FBP1OGAPRKD3PRKCGPRKCB
SCHEMBL13108778 0.82 FBP1 (0.37) FBP1FYNMAOASLC6A2HTR2C
SCHEMBL16641884 0.82 FBP1 (0.37) FBP1FYNMAOASLC6A2HTR2C
SCHEMBL16641888 0.82 FBP1 (0.37) FBP1FYNMAOASLC6A2HTR2C
SCHEMBL16641885 0.82 FBP1 (0.37) FBP1FYNMAOASLC6A2HTR2C
SCHEMBL16641882 0.82 FBP1 (0.37) FBP1FYNMAOASLC6A2HTR2C
SCHEMBL29299569 0.80 GBA1 (0.42) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL16641887 0.79 FYN (0.45) FBP1FYNMAOASLC6A2HTR2C

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-9902986-B2 Enterobactin conjugates and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-27 US disclosed