SCHEMBL8530488

SCHEMBL8530488

CC1(c2ccc3c(c2)CO3)CCc2ccccc21.CON=C(C(=O)OC)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.33
HIF1A Q16665 2/20 0.32
PIN1 Q13526 3/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL8530624 0.74 MAPT (0.39) HIF1ATDP1MAPTKMT2AALDH1A1
SCHEMBL8530035 0.74 HAO1 (0.37) HIF1ALMNAMAPTKMT2AALDH1A1
SCHEMBL8527784 0.72 PIN1 (0.33) PIN1LMNATDP1TACR1TACR3
SCHEMBL8530419 0.72 FFAR1 (0.40) HIF1ATDP1MAPTKMT2AALDH1A1
SCHEMBL8530641 0.72 ACSL1 (0.37) HIF1ATDP1MAPTKMT2AALDH1A1
SCHEMBL8527436 0.71 EDNRB (0.35) HIF1AMAPTKMT2AALDH1A1AKR1C3
SCHEMBL7457347 0.70 TSHR (0.50) HIF1ALMNATDP1MAPTKMT2A
SCHEMBL27446293 0.70 TSHR (0.50) HIF1ALMNATDP1MAPTKMT2A
SCHEMBL8530444 0.70 HIF1A (0.35) HIF1ALMNAMAPTKMT2AALDH1A1
SCHEMBL8527421 0.70 KDM4E (0.33) HIF1APIN1ALDH1A1

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