SCHEMBL22064074

SCHEMBL22064074

O=C(NCCN1CCNCC1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
RAD52 P43351 1/20 0.53
HSD17B10 Q99714 1/20 0.51
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PADI1 Q9ULC6 1/20 0.48
PADI4 Q9UM07 1/20 0.48
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
NAAA Q02083 1/20 0.44

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
SCHEMBL14761678 0.98 ITGB3 (0.58) ITGB3ITGA2BRAD52HSD17B10ALOX15
SCHEMBL22071882 0.93 HSD17B10 (0.54) ITGB3ITGA2BRAD52HSD17B10ALOX15
SCHEMBL14761461 0.89 SMN1; SMN2 (0.56) ITGB3ITGA2BRAD52HSD17B10MEN1
SCHEMBL14761832 0.88 DRD2 (0.57) ITGB3ITGA2BRAD52MEN1KMT2A
SCHEMBL16908301 0.87 ALOX15 (0.56) ITGB3ITGA2BHSD17B10ALOX15ALDH1A1
SCHEMBL15305135 0.86 MEN1 (0.49) ITGB3ITGA2BRAD52HSD17B10ALOX15
SCHEMBL19010582 0.86 ALOX15 (0.54) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL19849339 0.85 ALOX15 (0.59) HSD17B10ALOX15MEN1KMT2AALDH1A1
SCHEMBL20879991 0.81 MEN1 (0.47) ITGB3ITGA2BRAD52HSD17B10ALOX15
SCHEMBL21974900 0.81 MEN1 (0.47) ITGB3ITGA2BRAD52HSD17B10ALOX15

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-20200185731-A1 FLEXIBLE SEALING STRUCTURE MICROCOSM TECHNOLOGY CO., LTD. (TW) 2020-06-11 US disclosed