SCHEMBL18196843

SCHEMBL18196843

O=C(/C=C/c1ccc[nH]1)NCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ EPHX2 P34913 5/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ NAMPT P43490 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
SCHEMBL18190435 0.78 RAB9A (0.58) RAB9APOLBEPHX2MAPK1KDM4E
SCHEMBL18196846 0.75 RAB9A (0.51) RAB9APOLBEPHX2MAPK1KDM4E
SCHEMBL18190519 0.70 RAB9A (0.39) RAB9APOLBMAPK1ALDH1A1HPGD
SCHEMBL2406292 0.67 HDAC1 (0.68) KDM4EALDH1A1HPGD
SCHEMBL2406289 0.67 HDAC1 (0.68) KDM4EALDH1A1HPGD
SCHEMBL1623258 0.66 EPHX2 (0.61) RAB9APOLBEPHX2MAPK1KDM4E
SCHEMBL1609392 0.66 MAPT (0.59) RAB9AMAPK1NPC1SMN1; SMN2HTT
SCHEMBL1609393 0.66 MAPT (0.59) RAB9AMAPK1NPC1SMN1; SMN2HTT
SCHEMBL23884376 0.65 ALDH1A1 (0.46) RAB9APOLBEPHX2MAPK1KDM4E
SCHEMBL3454586 0.64 EPHX2 (0.68) RAB9AEPHX2MAPK1KDM4EALDH1A1

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
WO-2016176450-A1 TAMBJAMINES AND B-RING FUNCTIONALIZED PRODIGININES PORTLAND STATE UNIVERSITY (US) 2016-11-03 — — WO disclosed
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