SCHEMBL28849352

SCHEMBL28849352

CCOC(=O)c1ccc(N)c(NC2CCC(O)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.65
PTGER4 P35408 3/20 0.54
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
BRD4 O60885 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RAB9A P51151 1/20 0.42
CDC25B P30305 2/20 0.41
HSP90AA1 P07900 1/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL21311003 1.00 ALOX15 (0.65) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL2028037 0.90 ALOX15 (0.80) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL2028039 0.90 ALOX15 (0.80) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL21310900 0.89 ALOX15 (0.82) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL13537292 0.87 ALOX15 (0.64) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL3353106 0.86 ALOX15 (0.63) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL15319752 0.85 ALOX15 (0.88) ALOX15PTGER4LMNACYP1A2CYP3A4
SCHEMBL20337638 0.82 HDAC1 (0.52) ALOX15CA12CA1CA2CA7
SCHEMBL22725419 0.81 KMT2A (0.54) ALOX15PTGER4LMNARAB9AMAPT
SCHEMBL11621616 0.81 ALOX15 (0.51) ALOX15PTGER4LMNACYP1A2CYP3A4

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
CN-107021958-A FXR receptor stimulating agents 山东轩竹医药科技有限公司 2017-08-08 CN disclosed