SCHEMBL11326388

SCHEMBL11326388

C=CS(=O)(=O)c1cc(C(C)C)ccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 1/20 0.41
TYR P14679 2/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A1 P19634 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
RNASEH1 O60930 1/20 0.33
LMNA P02545 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL11326394 0.86 FABP4 (0.44) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL11400623 0.80 FABP3 (0.53) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL11951611 0.78 SLC9A1 (0.50) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL29469912 0.77 ALDH1A1 (0.41) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL10180424 0.77 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2TSHRPOLBKMT2A
SCHEMBL1929488 0.77 TRPV4 (0.44) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL17093011 0.77 ALDH1A1 (0.41) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL11773821 0.73 ALDH1A1 (0.36) FABP3FABP4FABP5TYRALDH1A1
SCHEMBL11326099 0.73 FABP4 (0.63) FABP3FABP4FABP5ALDH1A1
SCHEMBL22428664 0.72 FABP3 (0.37) FABP3FABP4FABP5TYRALDH1A1

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
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed