SCHEMBL667294

SCHEMBL667294

CCCOC(=O)C(C#N)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 3/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28675397 0.83 ALDH1A1 (0.41) ALDH1A1LMNATSHRCHRM1TDP1
SCHEMBL6969711 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL11451905 0.77 HCAR2 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL11445756 0.75 HCAR2 (0.36) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL11307409 0.73 ALDH1A1 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL3145350 0.72
SCHEMBL807409 0.72 HCAR2 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL4734757 0.72 HDAC1 (0.35) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL6875291 0.72 ALDH1A1 (0.44) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL10632823 0.71 TSHR (0.37) HCAR2ALDH1A1TSHRTDP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324193-B2 Methods and devices for delivery of compositions to conduits FEMASYS INC. (US) 2012-12-04 US disclosed
US-20120046260-A1 Methods and Devices for Delivery of Compositions to Conduits FEMASYS INC. (US) 2012-02-23 US disclosed