SCHEMBL11769809

SCHEMBL11769809

C=CCN=CCOCCO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL25614 0.74
Ethylene Glycol SCHEMBL27629265 0.72 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL1684954 0.72
SCHEMBL4710145 0.72 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11558632 0.72
Ethylene Glycol SCHEMBL27486822 0.72 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL5499574 0.72
SCHEMBL3663413 0.70 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL426462 0.70 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL14895055 0.70

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-4003719-A Schiff bases as biocides in petroleum products TEXACO INC. (US) 1977-01-18 US claimed
US-4003719-A Schiff bases as biocides in petroleum products TEXACO INC. (US) 1977-01-18 US disclosed