SCHEMBL3795674

SCHEMBL3795674

NC(=O)OB(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SRR Q9GZT4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 2/20 0.37
ALPI P09923 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL1356582 0.71 CA1 (0.41) LMNACES2CES1AKR1B1SMN1; SMN2
SCHEMBL3900187 0.71 CA1 (0.41) SMN1; SMN2ALDH1A1CA1CA2L3MBTL1
SCHEMBL2836728 0.71 CA1 (0.38) CES2CES1AKR1B1SMN1; SMN2ALDH1A1
Diphenylmethane SCHEMBL11255043 0.69 PLA2G10 (0.59) LMNAPLA2G10PLA2G2AALDH1A1NPC1
SCHEMBL56273 0.69 ORAI1 (0.42) LMNACES2CES1AKR1B1PARP10
SCHEMBL3887273 0.69 TSHR (0.46) LMNACYP1A2ALDH1A1HIF1APTGS1
SCHEMBL23535576 0.68 LIPE (0.39) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
Benzyl Carbamate SCHEMBL8592590 0.68 ALDH1A1 (0.64) LMNAPARP10ALDH1A1NPC1RAB9A
Benzyl Carbamate SCHEMBL1697 0.67 ALDH1A1 (0.63) LMNAPARP10PKMSMN1; SMN2CYP1A2
Benzyl Carbamate SCHEMBL10700633 0.67 ALDH1A1 (0.63) LMNAPARP10PKMSMN1; SMN2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed