SCHEMBL4446212

SCHEMBL4446212

O=C(O)c1cccc(CC2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.54
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
GRIK1 P39086 2/20 0.45
MEP1B Q16820 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL29668711 0.87 FOLH1 (0.51) FOLH1CYP2D6CYP2C9HIF1AMRGPRX4
SCHEMBL3150745 0.83 FOLH1 (0.54) FOLH1CYP2D6CYP2C9HIF1ALTB4R
SCHEMBL2783327 0.79 ALDH1A1 (0.48) HIF1ALTB4RLTB4R2GRIK1KMT2A
Water SCHEMBL28905301 0.78 ALDH1A1 (0.44) HIF1AKMT2A
SCHEMBL17200209 0.77 BCHE (0.57)
Isophthalic Acid SCHEMBL3123384 0.77 ALDH1A1 (0.46) FOLH1HIF1A
SCHEMBL23684547 0.76 GRIK1 (0.51) FOLH1CYP2D6CYP2C9HIF1AMRGPRX4
SCHEMBL9005670 0.75 PPM1D (0.64) FOLH1CYP2D6CYP2C9HIF1AMRGPRX4
SCHEMBL9005566 0.75 PPM1D (0.64) FOLH1CYP2D6CYP2C9HIF1AMRGPRX4
SCHEMBL11261716 0.75 CYP19A1 (0.51) KMT2A

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-20090324958-A1 Heat Setting Compounds Suitable for Sticking Together Coated Substrates SIKA TECHNOLOGY AG (CH) 2009-12-31 US disclosed