SCHEMBL14229306

SCHEMBL14229306

CCCCCCc1c(C)cccc1NC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.51
CETP P11597 2/20 0.51
P2RX7 Q99572 1/20 0.51
SOAT1 P35610 2/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49

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
SCHEMBL14230176 0.99 MAPK1 (0.53) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229263 0.94 MAPK1 (0.54) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229281 0.90 MAPK1 (0.55) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229427 0.87 CETP (0.50) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229928 0.86 CETP (0.49) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229423 0.86 MAPK1 (0.51) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14229246 0.85 MAPK1 (0.57) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14201053 0.85 SMN1; SMN2 (0.50) MEN1ALDH1A1KMT2ACETPP2RX7
SCHEMBL14229465 0.84 MAPK1 (0.50) MEN1ALDH1A1LMNATHRATHRB
SCHEMBL14201051 0.83 SMN1; SMN2 (0.51) MEN1ALDH1A1KMT2ACETPP2RX7

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed