SCHEMBL8216864

SCHEMBL8216864

CC(=CCCN(C)C)C(=O)O.CCN(CC)CCC=C(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CD81 P60033 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
BCL2L1 Q07817 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL8216856 1.00 ALDH1A1 (0.33) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL37962 0.93 ALDH1A1 (0.36) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL37961 0.93 ALDH1A1 (0.36) ALDH1A1CD81CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL1396443 0.91 ALDH1A1 (0.35) ALDH1A1CD81CHRM2CHRM4CHRM5
Acetic Acid SCHEMBL9812831 0.91 ALDH1A1 (0.35) ALDH1A1CD81CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL1396447 0.91 ALDH1A1 (0.35) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL112617 0.89 CD81 (0.38) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL22600 0.89 CD81 (0.38) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL30875818 0.89 CD81 (0.38) ALDH1A1CD81CHRM2CHRM4CHRM5
SCHEMBL15233994 0.87 ALDH1A1 (0.33) ALDH1A1CD81CHRM2CHRM4CHRM5

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
EP-0996399-A1 DIAPER WITH A HEAT-SENSITIVE OR PH-SENSITIVE SUPERABSORBER FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2000-05-03 EP disclosed
WO-1999003435-A1 DIAPER WITH A HEAT-SENSITIVE OR PH-SENSITIVE SUPERABSORBER Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 1999-01-28 WO disclosed