SCHEMBL6695770

SCHEMBL6695770

CCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCO4)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
PKM P14618 2/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.52
PKLR P30613 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3077251 0.84 ALDH1A1 (0.57) ALDH1A1PKMPOLBLMNAMAPT
SCHEMBL6925923 0.84 ALDH1A1 (0.58) ALDH1A1PKMPOLBLMNAMAPT
SCHEMBL6690056 0.83 POLB (0.51) ALDH1A1PKMUSP2POLBLMNA
SCHEMBL3069113 0.83 ALDH1A1 (0.60) ALDH1A1PKMPOLBLMNAMAPT
SCHEMBL17331314 0.81 ALDH1A1 (0.62) ALDH1A1POLBLMNAMAPTRAB9A
SCHEMBL17331339 0.81 ALDH1A1 (0.65) ALDH1A1PKMUSP2POLBLMNA
SCHEMBL17331325 0.80 ALDH1A1 (0.62) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL3069441 0.80 TSHR (0.60) ALDH1A1LMNAHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3058528 0.77 ALDH1A1 (0.50) ALDH1A1PKMUSP2LMNAPKLR
SCHEMBL6923759 0.76 POLB (0.57) ALDH1A1PKMPOLBLMNARAB9A

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed