SCHEMBL16997012

SCHEMBL16997012

CC(C)=C(C)CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
USP2 O75604 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.37
KEAP1 Q14145 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL70060 0.80 KDM4E (0.54) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL12247555 0.78 KDM4E (0.52) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL12247553 0.78 KDM4E (0.52) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL27339631 0.78 HSD17B10 (0.58) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL13909062 0.76 KDM4E (0.50) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL10246598 0.76 KDM4E (0.50) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL778962 0.76 KDM4E (0.61) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL5553040 0.74 MAPT (0.50) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2672089 0.74 KDM4E (0.59) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2
Acetic Acid SCHEMBL7320116 0.73 HSD17B10 (0.83) KDM4EHSD17B10ALOX15TSHRSMN1; SMN2

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-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed