SCHEMBL14224151

SCHEMBL14224151

CCc1ccc(-c2ccc(C(=O)NC[C@@H](C)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 5/20 0.55
TAOK3 Q9H2K8 4/20 0.55
PLK1 P53350 1/20 0.53
HPGD P15428 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NAMPT P43490 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
NLRP1 Q9C000 1/20 0.45

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
SCHEMBL12332426 0.95 PLK1 (0.58) TAOK1TAOK3PLK1HPGDTAS1R3
SCHEMBL15090036 0.84 NPC1 (0.65) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15087731 0.84 NPC1 (0.65) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15087819 0.84 LMNA (0.51) HPGDALDH1A1LMNANPSR1NPC1
SCHEMBL16373032 0.84 NPC1 (0.65) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15087754 0.84 HPGD (0.51) HPGDNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL15087755 0.84 EPHX2 (0.54) HPGDNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL17208757 0.83 PLK1 (0.59) TAOK1TAOK3PLK1HPGDTAS1R3
SCHEMBL10268332 0.83 HPGD (0.64) TAOK1TAOK3PLK1HPGDTAS1R3
SCHEMBL5856001 0.81 MLYCD (0.50) HPGDALDH1A1NPSR1NPC1RAB9A

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed