SCHEMBL8993314

SCHEMBL8993314

O=C(Nc1ccc(C(=O)O)cc1)OCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
RECQL P46063 1/20 0.49
EPHX2 P34913 1/20 0.47
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
CHRNA7 P36544 1/20 0.42
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8993272 0.96 NPC1 (0.48) NPC1RAB9ASMN1; SMN2RECQLEPHX2
SCHEMBL608997 0.94 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2RECQLEPHX2
SCHEMBL29401210 0.86 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL29561956 0.86 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL118052 0.86 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL7913189 0.82 EPHX2 (0.59) RAB9ASMN1; SMN2EPHX2NPSR1KMT2A
SCHEMBL608667 0.81 EPHX2 (0.46) NPC1RAB9ASMN1; SMN2EPHX2CASP1
SCHEMBL8993299 0.81 EPHX2 (0.41) RAB9AEPHX2KMT2AMEN1ALDH1A1
SCHEMBL29519366 0.77 PLA2G4A (0.45) NPC1RAB9ASMN1; SMN2CASP1NPSR1
SCHEMBL7209064 0.76 RAB9A (0.76) NPC1RAB9ASMN1; SMN2RECQLCASP1

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
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US claimed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed