SCHEMBL7995934

SCHEMBL7995934

CCOc1cc(C(C)C(=O)O)ccc1OC.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.57
AKR1C3 P42330 8/20 0.57
AKR1C2 P52895 8/20 0.57
PTGS2 P35354 6/20 0.54
PTGS1 P23219 3/20 0.54
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
TSHR P16473 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
CYP1A2 P05177 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3673327 0.98 HIF1A (0.59) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7995945 0.97 HIF1A (0.57) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL3666480 0.91 AKR1C3 (0.63) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4684868 0.87 HIF1A (0.59) HIF1AAKR1C3AKR1C2PDE4APDE4B
SCHEMBL14032691 0.86 ACHE (0.61) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5122373 0.86 ACHE (0.61) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL490776 0.86 ACHE (0.61) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4684865 0.85 HIF1A (0.57) HIF1AAKR1C3AKR1C2PDE4APDE4B
Hydrochloric Acid SCHEMBL3225395 0.84 ACHE (0.59) HIF1AAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4426909 0.83 HIF1A (0.58) HIF1AAKR1C3AKR1C2PDE4APDE4B

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-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed