SCHEMBL8090895

SCHEMBL8090895

COC(=O)CC1(CC(=O)Cc2ccc(C)cc2C)CCC(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
P2RX3 P56373 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
MCHR1 Q99705 1/20 0.32
PSMB5 P28074 2/20 0.32
PSMB8 P28062 1/20 0.32

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
SCHEMBL8082675 0.89 THRB (0.37) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL8094219 0.87 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL8096961 0.87 L3MBTL1 (0.35) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL8090768 0.86 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL8089333 0.86 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL8082664 0.86 P2RX7 (0.35) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8090997 0.85 P2RX3 (0.32) P2RX3
SCHEMBL8082691 0.84 CHRM2 (0.35) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8094121 0.83 L3MBTL1 (0.34) ALDH1A1L3MBTL1POLBNPC1RAB9A
SCHEMBL8094128 0.80 CYP1A2 (0.44) ALDH1A1L3MBTL1POLBNPC1RAB9A

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