SCHEMBL11760004

SCHEMBL11760004

O=C(CS)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSP90AA1 P07900 1/20 0.42
HSD11B1 P28845 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25568411 0.80 ALDH1A1 (0.52) ALDH1A1TSHRHSP90AA1HSD11B1L3MBTL1
SCHEMBL1072478 0.76 ALDH1A1 (0.50) ALDH1A1TSHRHSP90AA1HSD11B1LMNA
SCHEMBL2533725 0.76 ALDH1A1 (0.49) ALDH1A1TSHRHSP90AA1HSD11B1L3MBTL1
SCHEMBL14341893 0.76 ALDH1A1 (0.46) ALDH1A1TSHRHSP90AA1HSD11B1L3MBTL1
SCHEMBL354359 0.76 ALDH1A1 (0.49) ALDH1A1TSHRHSP90AA1HSD11B1L3MBTL1
SCHEMBL10775431 0.74 ALDH1A1 (0.66) ALDH1A1TSHRHSP90AA1HSD11B1L3MBTL1
SCHEMBL3322713 0.74 HTT (0.53) ALDH1A1TSHRHSP90AA1L3MBTL1LMNA
SCHEMBL1075076 0.74 ALDH1A1 (0.49) ALDH1A1TSHRHSD11B1LMNAKDM4E
SCHEMBL14341887 0.73 KDM4E (0.56) ALDH1A1TSHRHSP90AA1HSD11B1LMNA
Bromide SCHEMBL10778536 0.73 ALDH1A1 (0.64) ALDH1A1TSHRHSP90AA1LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764647-A2 Positive resist composition for immersion exposure and pattern-forming method using the same FUJIFILM Corporation (JP) 2007-03-21 EP disclosed
US-4036975-A FUNGICIDES, BACTERICIDES AND ANTIPROTOZOA AGENTS XYNTEX (U.S.A) INC. (US) 1977-07-19 US disclosed