SCHEMBL13072044

SCHEMBL13072044

CC1CCC(C(=O)S)=C(C(=O)S)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR4 O00206 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL4620598 0.76 HCAR2 (0.37) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL734433 0.71 HCAR2 (0.35) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL8680389 0.68 HCAR2 (0.34) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL6759519 0.68 HCAR2 (0.36) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL2646503 0.67 MEN1 (0.38) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL24228671 0.67 TNF (0.35) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL24228647 0.67 HCAR2 (0.35) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL4548482 0.64 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL4548465 0.64 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13072042 0.63 TRIM24 (0.35) ALDH1A1

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-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed