SCHEMBL14435308

SCHEMBL14435308

C=C/C=C\C(=C/C)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)[C@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MITF O75030 1/20 0.38
RECQL P46063 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL734174 0.80 ALDH1A1 (0.54) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL763824 0.74 MMP1 (0.56) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL14400848 0.74 MMP1 (0.56) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL755094 0.71 ALDH1A1 (0.49) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL13489665 0.70 KMT2A (0.53) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL26848353 0.68 L3MBTL1 (0.62) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL3609715 0.68 HSD11B1 (0.57) ALDH1A1HTTMAPTRAB9AHSD11B1
SCHEMBL3609710 0.68 HSD11B1 (0.57) ALDH1A1HTTMAPTRAB9AHSD11B1
SCHEMBL5654242 0.68 MMP1 (0.56) ALDH1A1LMNASMN1; SMN2L3MBTL1TSHR
SCHEMBL5112289 0.67 HSD11B1 (0.55) ALDH1A1HTTLMNAMAPTSMN1; SMN2

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-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed