SCHEMBL13645388

SCHEMBL13645388

CS(=O)(=O)OCCC1(CCO)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL15605706 0.89 USP2 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6481562 0.77 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL80815 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL150831 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL6485137 0.74 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28193387 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL6570483 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL613567 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL15103122 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR
SCHEMBL17376011 0.74 USP2 (0.36) USP2ALDH1A1LMNATSHR

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-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed