SCHEMBL9725696

SCHEMBL9725696

C=CCOC(=O)N(CC=CCl)CC=CCl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1683063 0.82 ALDH1A1 (0.45) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9725645 0.81 CYP3A4 (0.41) CYP3A4TSHRMAPTALDH1A1HSD17B10
SCHEMBL9725736 0.80
SCHEMBL9725646 0.77
SCHEMBL9725638 0.77 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9725617 0.76
SCHEMBL23532412 0.76 ALDH1A1 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL17688553 0.76 ALDH1A1 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9482612 0.74 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL7252003 0.73 ALDH1A1 (0.41) CYP3A4TSHRMAPTCACNA1BAPBA1

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
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US claimed
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