SCHEMBL3129271

SCHEMBL3129271

CCC(Nc1[c]cccc1)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
PIK3CD O00329 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.39
AIMP2 Q13155 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL3122081 0.84 GAA (0.47) MMP8ALOX15HSD17B10KMT2AGAA
SCHEMBL3122032 0.77 DPP4 (0.35) HSD17B10KMT2ASMN1; SMN2TSHR
SCHEMBL964201 0.73 CYP2C9 (0.60) HSD17B10KMT2AGAAALDH1A1MEN1
SCHEMBL3130509 0.73 ALDH1A1 (0.44) MMP8ALOX15HSD17B10KMT2AGAA
SCHEMBL3121591 0.72 MMP9 (0.39) MMP8KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3130605 0.71 SMN1; SMN2 (0.38) HSD17B10KMT2AGAAALDH1A1MEN1
SCHEMBL3757565 0.71 SMN1; SMN2 (0.48) HSD17B10KMT2AGAAALDH1A1MEN1
SCHEMBL3122088 0.71 FKBP1A (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3118094 0.71 KCNA5 (0.38) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL3129274 0.69 LMNA (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed