SCHEMBL9635730

SCHEMBL9635730

COC(=O)CCNCCCCC[SiH]1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX2 P34913 5/20 0.34
TSHR P16473 3/20 0.33
PAOX Q6QHF9 3/20 0.33
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL687887 0.76 CA12 (0.40) CA12CA14CA2CA7CA9
SCHEMBL29915714 0.73 TSHR (0.59) CA12CA14CA2CA7CA9
SCHEMBL7634743 0.73
SCHEMBL21084677 0.73
SCHEMBL340239 0.71 CA12 (0.38) CA12CA14CA2CA7CA9
Hydrochloric Acid SCHEMBL21715561 0.70 CA12 (0.37) CA12CA14CA2CA7CA9
SCHEMBL12791500 0.70 TSHR (0.59) CA12CA14CA2CA7CA9
SCHEMBL25214012 0.69 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL25215770 0.69 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL25246754 0.69 CA12 (0.64) CA12CA14CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275707-B1 HAIR CARE COMPOSITION CONTAINING MODIFIED AMINOALKYL SUBSTITUTED POLYDIORGANOSILOXANE DOW CORNING CORPORATION (US) 1992-05-27 EP disclosed
EP-0275707-A2 Hair care composition containing modified aminoalkyl substituted polydiorganosiloxane DOW CORNING CORPORATION (US) 1988-07-27 EP disclosed
US-4749732-A Hair care composition containing modified aminoalkyl substituted polydiorganosiloxane DOW CORNING CORPORATION (US) 1988-06-07 US disclosed