SCHEMBL11102604

SCHEMBL11102604

CCCC(=O)OC1CCSC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SLC18A3 Q16572 1/20 0.32
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ADRA1A P35348 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30
KCNH2 Q12809 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
SCHEMBL29804588 0.85 NAAA (0.36) NAAACHRM2CHRM1CHRM3
SCHEMBL8690677 0.78
SCHEMBL10434849 0.77 SMN1; SMN2 (0.33) NAAAALDH1A1SMN1; SMN2
SCHEMBL9677109 0.76 NAAA (0.73) NAAASMN1; SMN2
SCHEMBL19261976 0.75
SCHEMBL1695592 0.75 NAAA (0.72) NAAAALDH1A1SMN1; SMN2TSHRSLC18A3
SCHEMBL2433610 0.75 NAAA (0.67) NAAAALDH1A1SMN1; SMN2TSHRSLC18A3
SCHEMBL1114514 0.75
SCHEMBL10692765 0.74 NAAA (0.50) NAAAALDH1A1SMN1; SMN2TSHRSLC18A3
SCHEMBL10692772 0.74 NAAA (0.50) NAAAALDH1A1SMN1; SMN2TSHRSLC18A3

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
US-4485872-A FLOW CONTROL AGENTS PHILLIPS PETROLEUM COMPANY (US) 1984-12-04 US disclosed