SCHEMBL8779291

SCHEMBL8779291

C=C(OC(=O)O)C1CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HSD11B1 P28845 1/20 0.39
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
LIPA P38571 1/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 2/20 0.35
ATM Q13315 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL692291 0.76 GLA (0.45) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL503482 0.74 GLA (0.50) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL3514603 0.74 GLA (0.50) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL1835961 0.74 GLA (0.50) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL15925137 0.74 GLA (0.42) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL2696875 0.74 MAPT (0.41) GLAHSD11B1EPHX1NPC1ALDH1A1
SCHEMBL13640738 0.73 HSD11B1 (0.39) GLAHSD11B1ALDH1A1MAPTLIPA
Hydrochloric Acid SCHEMBL28868171 0.73 GLA (0.49) GLAHSD11B1EPHX1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL22260766 0.73 GLA (0.49) GLAHSD11B1EPHX1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL28868170 0.73 GLA (0.49) GLAHSD11B1EPHX1NPC1ALDH1A1

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
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 EP claimed