SCHEMBL8089421

SCHEMBL8089421

COC(=O)CC(C)(CC(=O)Cc1ccc(C)cc1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
PSMB5 P28074 4/20 0.36
PSMB8 P28062 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
P2RX7 Q99572 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
LPAR1 Q92633 1/20 0.33

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
SCHEMBL8089290 0.84 L3MBTL1 (0.33) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL8096852 0.84 NPC1 (0.38) ALDH1A1KDM4EL3MBTL1PSMB5PSMB8
SCHEMBL8089236 0.81 SMN1; SMN2 (0.38) ALDH1A1KDM4EL3MBTL1PSMB5PSMB8
SCHEMBL8096860 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL10015983 0.77 NPC1 (0.45) ALDH1A1KDM4EL3MBTL1PSMB5PSMB8
SCHEMBL14729157 0.73 NPC1 (0.46) ALDH1A1PSMB5PSMB8NPC1RAB9A
SCHEMBL8862949 0.73 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1PSMB5PSMB8
SCHEMBL10909436 0.71 RXRA (0.44) ALDH1A1KDM4EPSMB5PSMB8NPC1
SCHEMBL8094219 0.69 L3MBTL1 (0.42) ALDH1A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL13091046 0.69 NPC1 (0.43) ALDH1A1KDM4EL3MBTL1PSMB5PSMB8

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
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed