SCHEMBL9725693

SCHEMBL9725693

S=C(OCc1ccccc1)N(CC=CCl)CC=CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 6/20 0.42
HCAR2 Q8TDS4 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 3/20 0.36
IDO1 P14902 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11642506 0.81 CYP1A2 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL9099866 0.75 ALDH1A1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL27509628 0.72 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL1254822 0.71 ALDH1A1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL9725635 0.71 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL9816840 0.70 ALDH1A1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL17764211 0.69 ALDH1A1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL8467928 0.68 ALDH1A1 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL11302798 0.68 ALDH1A1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL1722105 0.67 CA12 (0.65) CA12CA1CA2CA9ALDH1A1

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-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
EP-0175332-B1 HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE STAUFFER CHEMICAL COMPANY (US) 1992-03-18 EP disclosed