SCHEMBL14200467

SCHEMBL14200467

CCCC(CCC)N(C(=O)CC(C)(C)C)c1cccc(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 8/20 0.36
EPHX1 P07099 1/20 0.34
BCL2 P10415 1/20 0.34
PTGS2 P35354 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33

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
SCHEMBL14200439 0.92 MAPK1 (0.37) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL14200454 0.91 MTNR1B (0.35) EPHX1TAS1R3TAS1R1HDAC1HDAC6
SCHEMBL14200447 0.90 MAPK1 (0.36) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL14200452 0.89 SIGMAR1 (0.37) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL14200479 0.85 TAS1R3 (0.44) TDP1ALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL14229027 0.85 TP53 (0.42) MAPK1L3MBTL1TSHRTDP1SIGMAR1
SCHEMBL14201000 0.84 RIPK1 (0.40) L3MBTL1TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL14200466 0.84 PTGS2 (0.36) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL14200448 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL14229594 0.84 RIPK1 (0.43) MAPK1L3MBTL1TSHRTDP1ALDH1A1

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 4 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-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
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed