SCHEMBL8090768

SCHEMBL8090768

COC(=O)CC1(CC(=O)Cc2ccc(C)cc2C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
FPR3 P25089 2/20 0.36
FPR2 P25090 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34
MMP1 P03956 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8089333 1.00 L3MBTL1 (0.42) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8094219 0.99 L3MBTL1 (0.42) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8082675 0.90 THRB (0.37) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8096961 0.88 L3MBTL1 (0.35) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8082664 0.87 P2RX7 (0.35) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8094128 0.86 CYP1A2 (0.44) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8090895 0.86 KDM4E (0.35) L3MBTL1POLBNPC1RAB9AALDH1A1
SCHEMBL8082691 0.85 CHRM2 (0.35) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8094121 0.84 L3MBTL1 (0.34) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8089298 0.83 KMT2A (0.37) POLBKMT2AHPGDALDH1A1TSHR

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