SCHEMBL8530444

SCHEMBL8530444

CON=C(C(=O)OC)c1ccccc1.Clc1ccc2c(c1)CCC2c1ccc2c(c1)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
P2RX7 Q99572 2/20 0.32
LMNA P02545 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GID4 Q8IVV7 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
SCHEMBL8530035 0.91 HAO1 (0.37) HIF1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL8527421 0.90 KDM4E (0.33) HIF1AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8527436 0.76 EDNRB (0.35) HIF1AKMT2AALDH1A1MAPT
SCHEMBL8530419 0.76 FFAR1 (0.40) HIF1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL8530606 0.74 KIF11 (0.35) HIF1AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8530641 0.74 ACSL1 (0.37) HIF1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL8530624 0.72 MAPT (0.39) HIF1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL8530488 0.70 HDAC9 (0.33) HIF1AKMT2AALDH1A1MAPTLMNA
SCHEMBL8530423 0.69 MTNR1A (0.38) KMT2AMEN1TAS1R3TAS1R1
SCHEMBL8530604 0.67 HIF1A (0.50) HIF1A

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