SCHEMBL8527412

SCHEMBL8527412

CON=C(C(=O)OCOc1ccc(C2CC(C)c3ccccc32)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
HIF1A Q16665 3/20 0.34
RAB9A P51151 2/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GRIN2C Q14957 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP13 P45452 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6153115 0.81 HIF1A (0.43) SMN1; SMN2HIF1ARAB9AFFAR1NPC1
SCHEMBL8527416 0.78 KDM4E (0.38) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL8527006 0.75 HIF1A (0.46) HIF1A
SCHEMBL6152731 0.72 MRGPRX4 (0.43) SMN1; SMN2HIF1AMRGPRX4KDM4EALDH1A1
SCHEMBL8527009 0.72 SLC6A4 (0.35) ALDH1A1MAPT
SCHEMBL8018548 0.68 SMN1; SMN2 (0.61) SMN1; SMN2TSHRRAB9ANPC1ALDH1A1
SCHEMBL6152764 0.68 SMN1; SMN2 (0.61) SMN1; SMN2TSHRRAB9ANPC1ALDH1A1
SCHEMBL28180684 0.68 SMN1; SMN2 (0.47) SMN1; SMN2TSHRHIF1AALDH1A1LMNA
SCHEMBL2036589 0.66 SIGMAR1 (0.47)
SCHEMBL7609590 0.66 SIGMAR1 (0.47)

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
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed