SCHEMBL8993272

SCHEMBL8993272

O=C(Nc1ccc(C(=O)O)cc1)OCCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
EPHX2 P34913 1/20 0.46
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
CHRNA7 P36544 1/20 0.41
BCHE P06276 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL8993314 0.96 NPC1 (0.49) NPC1RAB9ASMN1; SMN2RECQLEPHX2
SCHEMBL608997 0.93 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2RECQLEPHX2
SCHEMBL118052 0.85 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL29401210 0.85 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL29561956 0.85 EPHX2 (0.63) EPHX2KMT2AALDH1A1
SCHEMBL7913189 0.81 EPHX2 (0.59) RAB9ASMN1; SMN2EPHX2NPSR1KMT2A
SCHEMBL8993299 0.81 EPHX2 (0.41) RAB9AEPHX2KMT2AMEN1ALDH1A1
SCHEMBL608667 0.81 EPHX2 (0.46) NPC1RAB9ASMN1; SMN2EPHX2CASP1
SCHEMBL29341843 0.76 EPHX2 (0.62) EPHX2KMT2A
SCHEMBL29519366 0.76 PLA2G4A (0.45) NPC1RAB9ASMN1; SMN2CASP1NPSR1

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