SCHEMBL7433458

SCHEMBL7433458

O=C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.75
ALDH1A1 P00352 7/20 0.75
HSD17B10 Q99714 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
NPC1 O15118 1/20 0.65
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TSHR P16473 3/20 0.63
GAA P10253 1/20 0.63
GFER P55789 1/20 0.63
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL108225 0.89 ALDH1A1 (0.90) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL5970063 0.86 HPGD (1.00) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL14140751 0.84 HPGD (1.00) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL244547 0.84 HPGD (1.00) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL13486221 0.84 HPGD (1.00) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7464300 0.82 HPGD (0.75) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL93930 0.81 ALDH1A1 (0.76) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL13486222 0.80 HPGD (0.71) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7466468 0.79 HPGD (0.71) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL6971489 0.78 ALDH1A1 (0.69) HPGDALDH1A1HSD17B10CYP1A2CYP3A4

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed