SCHEMBL8096852

SCHEMBL8096852

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
P2RX7 Q99572 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PSMB5 P28074 2/20 0.36
PSMB8 P28062 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
SRC P12931 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8089236 0.85 SMN1; SMN2 (0.38) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL8089421 0.84 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL10909436 0.84 RXRA (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8090802 0.82 MAPT (0.36) KDM4EL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL10015983 0.81 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL8090599 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1P2RX7MEN1
SCHEMBL14729157 0.78 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2P2RX7
SCHEMBL10911390 0.76 NLRP3 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8094219 0.73 L3MBTL1 (0.42) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL13091046 0.73 NPC1 (0.43) NPC1RAB9AALDH1A1KDM4EL3MBTL1

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