SCHEMBL5862834

SCHEMBL5862834

CC(C(=O)NCc1ccccc1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
EPHX1 P07099 1/20 0.56
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SLC1A2 P43004 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP1 P03956 1/20 0.51
FCER2 P06734 1/20 0.51
MME P08473 1/20 0.50
EPHX2 P34913 2/20 0.49
KLK7 P49862 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL10133051 0.87 HRH3 (0.53) HPGDEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL10133048 0.87 HTR2C (0.55) HPGDEPHX1KMT2ARAB9ASMN1; SMN2
SCHEMBL10133049 0.85 LMNA (0.51) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL8546072 0.81 HPGD (0.59) HPGDEPHX1KMT2AALDH1A1USP2
SCHEMBL13864007 0.81 RAB9A (0.44) HPGDEPHX1ALDH1A1RAB9ANPC1
SCHEMBL15989231 0.78 SMN1; SMN2 (0.52) HPGDKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15989250 0.78 SMN1; SMN2 (0.52) HPGDKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL8760 0.77 KMT2A (0.67) KMT2AALDH1A1SLC1A2SMN1; SMN2L3MBTL1
SCHEMBL13305279 0.75 HTR1E (0.67) HPGDKMT2ARAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL23235729 0.75 KMT2A (0.65) KMT2AALDH1A1SLC1A2SMN1; SMN2L3MBTL1

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-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 US disclosed