SCHEMBL10001620

SCHEMBL10001620

CCOCCNC(=O)C1CCCCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
KMT2A Q03164 4/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
EPHX2 P34913 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
CHRM1 P11229 3/20 0.49
EPHX1 P07099 1/20 0.49
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL24244844 0.87 SMN1; SMN2 (0.58) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL31302456 0.83 GNAI3 (0.59) NAAAKMT2ATSHRSMN1; SMN2EPHX2
SCHEMBL16127048 0.83 SMN1; SMN2 (0.54) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL17592152 0.82 NAAA (0.57) NAAAKMT2ATSHRMEN1SMN1; SMN2
SCHEMBL30832082 0.82 KMT2A (0.58) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1674736 0.82 KMT2A (0.58) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6445858 0.82 NAAA (0.57) NAAAKMT2ATSHRMEN1SMN1; SMN2
SCHEMBL24116980 0.82 KMT2A (0.58) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL24334500 0.82 TSHR (0.62) KMT2ATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL31302489 0.82 TSHR (0.47) NAAAKMT2ATSHRMEN1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141767-A1 Biochip array with a Three-Dimensional structure CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2012-06-07 US disclosed