SCHEMBL6689121

SCHEMBL6689121

CCCCCCc1cccc(NC(=O)NCCCl)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.63
TRPV1 Q8NER1 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GHSR Q92847 2/20 0.56
EPHX2 P34913 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
S1PR1 P21453 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL6691753 1.00 EPHX1 (0.63) EPHX1TRPV1KMT2AMEN1GHSR
SCHEMBL6688013 0.99 EPHX1 (0.61) EPHX1TRPV1KMT2AMEN1GHSR
SCHEMBL6689821 0.89 KMT2A (0.55) EPHX1TRPV1KMT2AMEN1ALDH1A1
SCHEMBL6690836 0.89 KMT2A (0.55) EPHX1TRPV1KMT2AMEN1ALDH1A1
SCHEMBL6688083 0.89 KMT2A (0.55) EPHX1TRPV1KMT2AMEN1ALDH1A1
SCHEMBL6691686 0.87 KMT2A (0.56) EPHX1TRPV1KMT2AMEN1ALDH1A1
SCHEMBL6689213 0.87 KMT2A (0.56) EPHX1TRPV1KMT2AMEN1EPHX2
SCHEMBL6693231 0.86 KMT2A (0.53) EPHX1TRPV1KMT2AMEN1GHSR
SCHEMBL6692719 0.86 KMT2A (0.56) EPHX1KMT2AMEN1EPHX2ALDH1A1
SCHEMBL6694217 0.86 LMNA (0.57) EPHX1KMT2AMEN1EPHX2ALDH1A1

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
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed