SCHEMBL22071882

SCHEMBL22071882

O=C(NCCN1CCNCC1)C1CCC(C(=O)NCCN2CCNCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX15 P16050 1/20 0.48
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GNAI3 P08754 3/20 0.46
GNAO1 P09471 3/20 0.46
GNAI1 P63096 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43

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
SCHEMBL22064074 0.93 ITGB3 (0.56) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL15305135 0.92 MEN1 (0.49) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL14761678 0.92 ITGB3 (0.58) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL16908301 0.87 ALOX15 (0.56) HSD17B10ITGB3ITGA2BALOX15ALDH1A1
SCHEMBL19010582 0.85 ALOX15 (0.54) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL22071884 0.83 ITGB3 (0.43) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL27432190 0.83 ITGB3 (0.46) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL14761461 0.83 SMN1; SMN2 (0.56) HSD17B10ITGB3ITGA2BMEN1KMT2A
SCHEMBL15362709 0.83 ALDH1A1 (0.61) MEN1KMT2AALDH1A1GNAI3GNAO1
SCHEMBL13661582 0.82 ALOX15 (0.61) MEN1KMT2AALOX15ALDH1A1L3MBTL1

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-20200180283-A1 FLEXIBLE SEALING FILM, FLEXIBLE SEALING MEMBER AND FLEXIBLE SEALING STRUCTURE MICROCOSM TECHNOLOGY CO., LTD. (TW) 2020-06-11 US disclosed