SCHEMBL29031806

SCHEMBL29031806

CC(C(N)=O)c1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.59
EPHX1 P07099 1/20 0.50
PTGS1 P23219 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
FABP2 P12104 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C4 P17516 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8696877 0.91 PTGS2 (0.71) PTGS2EPHX1MAPTCYP1A2CYP2C9
SCHEMBL22404548 0.86 EPHX1 (0.47) PTGS2EPHX1LMNAAKR1C3AKR1C2
SCHEMBL28775715 0.85 SCN9A (0.48) PTGS2EPHX1KMT2AAKR1C3AKR1C2
SCHEMBL2357849 0.85 NPSR1 (0.54) PTGS2EPHX1PTGS1MEN1KMT2A
SCHEMBL965912 0.82 EPHX1 (0.57) PTGS2EPHX1LMNAHIF1ASRC
SCHEMBL9705 0.82 EPHX1 (0.57) PTGS2EPHX1LMNAHIF1ASRC
SCHEMBL1479916 0.82 EPHX1 (0.57) PTGS2EPHX1LMNAHIF1ASRC
SCHEMBL7019484 0.81 F10 (0.47) PTGS2EPHX1
Hydrochloric Acid SCHEMBL3308273 0.81 EPHX1 (0.55) PTGS2EPHX1LMNAHIF1ASRC
Hydrochloric Acid SCHEMBL29096650 0.81 EPHX1 (0.55) PTGS2EPHX1LMNAHIF1ASRC

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
CN-116239974-A Film material and conductive adhesive film using the same 南通德聚半导体材料有限公司 2023-06-09 CN disclosed