SCHEMBL8611028

SCHEMBL8611028

CCCCCC1C(OC(=O)O)=C(C)NC(C)=C1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FASN P49327 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
SCHEMBL2576010 0.76 LMNA (0.50) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL8654462 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL8654643 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL8653231 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL8521929 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL7148358 0.72 ALDH1A1 (0.58) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL7152871 0.72 ALDH1A1 (0.78) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL10579477 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL11256668 0.71 ALDH1A1 (0.57) ALDH1A1LMNAHPGDTP53TSHR
SCHEMBL8652188 0.70 ALDH1A1 (0.51) ALDH1A1LMNAHPGDTP53TSHR

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
WO-1999001432-A1 ANTI-DIABETIC AGENT LATVIAS ORGANISKAS SINTEZES INSTITUTS (LV) 1999-01-14 WO disclosed