SCHEMBL9748169

SCHEMBL9748169

C=C(CCCNC(=O)NCCN1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
GAA P10253 2/20 0.47
EPHX1 P07099 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9747557 0.86 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1CNR1MAPK1
SCHEMBL39610 0.82 GLA (0.55) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1514666 0.82 GAA (0.57) TSHREPHX2GAAEPHX1LMNA
SCHEMBL3897267 0.82 SMN1; SMN2 (0.60) TSHRGAAEPHX1LMNASMN1; SMN2
SCHEMBL547366 0.78 GLA (0.63) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2347336 0.78 GAA (0.70) TSHREPHX2GAAEPHX1LMNA
Hydrochloric Acid SCHEMBL11421103 0.77 GLA (0.67) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL12891492 0.75 TDP1 (0.51) TSHREPHX2GAAEPHX1LMNA
SCHEMBL7868634 0.74 KDM4E (0.48) EPHX2SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL14424502 0.74 TSHR (0.57) TSHRLMNASMN1; SMN2ALDH1A1CNR1

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
EP-0199306-B1 WASH-OFF FILM CONTAINING SYNTHETIC AMPHOTERIC POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-11 EP claimed