SCHEMBL7906162

SCHEMBL7906162

COc1ccc(C(O)CNC(=O)CCl)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
F7 P08709 2/20 0.47
PRSS2 P07478 1/20 0.47
F3 P13726 1/20 0.47
PRSS3 P35030 1/20 0.47
BCHE P06276 1/20 0.45
ALDH1A1 P00352 4/20 0.45
ADRB3 P13945 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL7913469 0.86 LMNA (0.48) BCHEALDH1A1ADRB3ADRB2SMN1; SMN2
SCHEMBL7919815 0.81 NFKB1 (0.52) ALDH1A1ADRB3ADRB2SMN1; SMN2LMNA
SCHEMBL323396 0.80 LTA4H (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8843624 0.80 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL30839672 0.79 MTNR1A (0.53) SMPD1HDAC1HDAC8HDAC6MTNR1A
SCHEMBL7916416 0.78 NFKB1 (0.57) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL7823960 0.78 SMPD1 (0.57) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL30352666 0.78 NFKB1 (0.57) SMPD1HDAC1HDAC8HDAC6F2
SCHEMBL11811306 0.77 ADRB2 (0.73) MTNR1AMTNR1BBCHEALDH1A1ADRB3
SCHEMBL2060104 0.77 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6F2

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed