SCHEMBL16280856

SCHEMBL16280856

CCC(O)C[C@H](O)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.33
KISS1R Q969F8 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21407621 1.00 ALDH1A1 (0.34) ALDH1A1LMNAGAAPKMTSHR
SCHEMBL8658630 0.79 OR51E2 (0.43) ALDH1A1LMNAGAAPKMTDP1
SCHEMBL6702996 0.79 LMNA (0.40) ALDH1A1LMNAKISS1RTDP1
SCHEMBL805277 0.77
SCHEMBL107741 0.77
SCHEMBL7712935 0.77
SCHEMBL16280863 0.77 TSHR (0.36) ALDH1A1TSHRKISS1RTDP1
SCHEMBL1781897 0.77 TSHR (0.36) ALDH1A1TSHRKISS1RTDP1
SCHEMBL14753893 0.77 GABRR1 (0.42) LMNATSHRKISS1R
SCHEMBL17347612 0.76

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-8906868-B2 Aminoglycoside derivatives REMPEX PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed