SCHEMBL22071884

SCHEMBL22071884

O=C(CC1CCC(C(=O)NCCN2CCNCC2)C1)NCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAD52 P43351 1/20 0.38
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL22071882 0.83 HSD17B10 (0.54) ITGB3ITGA2BHSD17B10MEN1KMT2A
SCHEMBL22064074 0.78 ITGB3 (0.56) ITGB3ITGA2BHSD17B10MEN1KMT2A
SCHEMBL15305135 0.77 MEN1 (0.49) ITGB3ITGA2BHSD17B10MEN1KMT2A
SCHEMBL14761678 0.76 ITGB3 (0.58) ITGB3ITGA2BHSD17B10MEN1KMT2A
SCHEMBL15600272 0.73 ALDH1A1 (0.41) ITGB3ITGA2BHSD17B10MEN1KMT2A
SCHEMBL9602568 0.73 ITGB3 (0.46) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL8572773 0.73 MEN1 (0.56) HSD17B10MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL16908301 0.72 ALOX15 (0.56) ITGB3ITGA2BHSD17B10SIGMAR1ALDH1A1
SCHEMBL27972923 0.71 SIGMAR1 (0.68) HSD17B10MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL19010582 0.71 ALOX15 (0.54) ITGB3ITGA2BMEN1KMT2AALDH1A1

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