SCHEMBL4588098

SCHEMBL4588098

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSS P25774 7/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8921075 0.82 ALDH1A1 (0.38) CTSKMEN1KMT2AALDH1A1TSHR
SCHEMBL11455313 0.82 CTSK (0.41) CTSKCTSSMEN1KMT2AALDH1A1
SCHEMBL15268573 0.79 CTSK (0.44) CTSKCTSSMEN1KMT2AALDH1A1
SCHEMBL22645733 0.76 MEN1 (0.32) MEN1KMT2AALDH1A1TSHR
SCHEMBL24367924 0.76 L3MBTL1 (0.40) CTSKCTSSMEN1KMT2AALDH1A1
SCHEMBL11817584 0.74 MEN1 (0.31) MEN1KMT2AALDH1A1TSHR
SCHEMBL21938645 0.69 CTSK (0.33) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL6893081 0.69 CTSS (0.35) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL21997021 0.68 TSHR (0.41) CTSKCTSSMEN1KMT2AALDH1A1
SCHEMBL7773527 0.67 CTSK (0.41) CTSKCTSSKMT2ACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076218-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. (US) 2008-06-26 WO disclosed
US-20080145800-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 US disclosed
US-20080145801-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 US disclosed