SCHEMBL14280310

SCHEMBL14280310

O=C1OC(=O)C(CO)C1CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
GBA1 P04062 1/20 0.36
PTPN1 P18031 3/20 0.33
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PPM1B O75688 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPP1CA P62136 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL2759295 0.69 MEN1 (0.31) LMNAKDM4EGMNNPPM1BPPP1CC
SCHEMBL20208292 0.69 MEN1 (0.31) LMNAKDM4EGMNNPPM1BPPP1CC
SCHEMBL15095428 0.69 MEN1 (0.31) LMNAKDM4EGMNNPPM1BPPP1CC
SCHEMBL14185119 0.68
SCHEMBL10110527 0.66 LMNA (0.34) LMNAGBA1PTPN1
SCHEMBL4754339 0.65 KAT2A (0.38) SMN1; SMN2TP53
SCHEMBL4754340 0.65 KAT2A (0.38) SMN1; SMN2TP53
SCHEMBL736870 0.65
SCHEMBL15764751 0.63
SCHEMBL15672438 0.63 PRSS1 (0.46)

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-7314959-B2 Amino thiol compounds and compositions for use in conjunction with cancer therapy WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-01 US disclosed
US-7314959-B2 Amino thiol compounds and compositions for use in conjunction with cancer therapy WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-01 US disclosed