SCHEMBL13673100

SCHEMBL13673100

CCNC(=O)COc1ccc(OCC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC1 Q13547 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10899659 0.87 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL19002729 0.86 RAB9A (0.69) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL4053405 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL27754995 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL6612298 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL19002731 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL1433698 0.84 RAB9A (0.81) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL14501029 0.83 RAB9A (0.65) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL6538868 0.83 RAB9A (0.65) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL20024738 0.83 RAB9A (0.65) RAB9ASMN1; SMN2NPC1HTTHPGD

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-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed