SCHEMBL14664951

SCHEMBL14664951

CC(C)Oc1ccc(OBO)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.49
RORC P51449 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 1/20 0.40
KMO O15229 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL4012282 0.86 CSNK2A1 (0.51) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL19612249 0.82 CSNK2A1 (0.58) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL14551877 0.81 CA12 (0.41) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL19564845 0.76 ERN1 (0.43) RORCKMT2ALMNACYP1A2CYP2C9
SCHEMBL7172382 0.76 CSNK2A1 (0.59) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL14273283 0.76 CSNK2A1 (0.51) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL7429267 0.76 CSNK2A1 (0.44) CSNK2A1RORCKMT2ALMNAS1PR1
SCHEMBL14664961 0.74 KMT2A (0.50) MEN1KMT2ALMNACYP1A2GLA
SCHEMBL17429154 0.74 HSP90AA1 (0.48) MEN1KMT2ALMNAKMOCYP3A4
SCHEMBL15072545 0.74 MRGPRX4 (0.46) MEN1KMT2ALMNAHPGDSMN1; 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
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed