SCHEMBL9635801

SCHEMBL9635801

O=S(=O)(c1ccc(OCC2CO2)c(Cl)c1)c1ccc(OCC2CO2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL2338368 0.80 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2TSHRTP53
SCHEMBL7962011 0.80 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2TSHRTP53
SCHEMBL29847389 0.80 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2TSHRTP53
SCHEMBL7962015 0.80 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2TSHRTP53
SCHEMBL1957627 0.79 P2RX4 (0.53) PKMGAAALDH1A1LMNASMN1; SMN2
SCHEMBL9803136 0.78 ALDH1A1 (0.59) PKMGAAALDH1A1LMNAGLA
SCHEMBL8046984 0.78 ALDH1A1 (0.57) PKMGAAALDH1A1LMNAGLA
SCHEMBL12835342 0.77 MAPT (0.51) ALDH1A1LMNASMN1; SMN2CYP3A4PRMT5
SCHEMBL21296293 0.77 ALDH1A1 (0.50) ALDH1A1GLASMN1; SMN2TSHRTP53
SCHEMBL16585014 0.77 TSHR (0.47) PKMALDH1A1LMNAGLASMN1; SMN2

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-5091359-A Chromogen, color developer, and novolak type epoxy resin KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-02-25 US disclosed
EP-0382523-A2 Heat-sensitive record material NEW OJI PAPER CO., LTD. (JP) 1990-08-16 EP disclosed