SCHEMBL27980945

SCHEMBL27980945

Oc1ccc(-c2ccc(COc3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
CYP1A2 P05177 1/20 0.74
PTGS1 P23219 1/20 0.74
SLC6A2 P23975 1/20 0.74
CYP2C19 P33261 1/20 0.74
PTGS2 P35354 1/20 0.74
SLC6A3 Q01959 1/20 0.74
HIF1A Q16665 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
APP P05067 2/20 0.60
MAPT P10636 4/20 0.58
GAA P10253 4/20 0.58
MEN1 O00255 3/20 0.58
BLM P54132 3/20 0.58
KMT2A Q03164 3/20 0.58
FFAR1 O14842 2/20 0.58
TP53 P04637 1/20 0.58
ATM Q13315 1/20 0.58
GSTP1 P09211 2/20 0.57
BCHE P06276 2/20 0.55

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
SCHEMBL4506574 0.94 LMNA (0.78) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1834595 0.94 LMNA (0.83) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL254671 0.92 LMNA (0.88) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2515844 0.92 LMNA (0.88) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1703352 0.92 APP (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6059234 0.90 LMNA (0.85) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL23665904 0.90 GSTP1 (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL22596639 0.90 APP (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12285274 0.90 GSTP1 (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5633288 0.90 APP (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed