SCHEMBL28226345

SCHEMBL28226345

O=C(O)CCC(=O)NCCC1=CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.72
▸ ALDH1A1 P00352 7/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ TAAR1 Q96RJ0 1/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ POLB P06746 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ GRK2 P25098 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ EPHX1 P07099 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL7783342 0.82 EPHX1 (0.73) HPGDALDH1A1KMT2ATAAR1NPC1
SCHEMBL19334427 0.80 ALDH1A1 (0.64) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL988376 0.79 TAAR1 (0.53) HPGDALDH1A1MEN1KMT2ATAAR1
SCHEMBL6318345 0.79 ALDH1A1 (0.59) HPGDALDH1A1MEN1KMT2ATAAR1
SCHEMBL12717314 0.79 SMN1; SMN2 (0.64) HPGDALDH1A1TAAR1NPC1RAB9A
SCHEMBL8674157 0.79 TAAR1 (0.61) HPGDALDH1A1TAAR1NPC1RAB9A
SCHEMBL11615931 0.78 TAAR1 (0.51) HPGDALDH1A1MEN1KMT2ATAAR1
SCHEMBL987088 0.76 ALDH1A1 (0.55) HPGDALDH1A1MEN1KMT2ATAAR1
SCHEMBL28375511 0.76 ALDH1A1 (0.78) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL14521487 0.75 SMN1; SMN2 (0.68) ALDH1A1MEN1KMT2ATAAR1HTT

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
CN-108299541-A The sesterterpene AsperterpinolB derivatives and synthetic method and inflammatory applications of ocean microorganism 华南师范大学 2018-07-20 — — CN claimed
CN-108191944-A The sesterterpene AsperterpinolB derivatives and synthetic method of ocean microorganism and carbohydrase application 华南师范大学 2018-06-22 — — CN claimed
Send feedback