SCHEMBL4970022

SCHEMBL4970022

NCC(O)CC#CCC(O)CN

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CETP P11597 1/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 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
SCHEMBL11797163 0.78
SCHEMBL504092 0.75
SCHEMBL27311602 0.75
SCHEMBL5748082 0.75
SCHEMBL5748091 0.75
SCHEMBL33803 0.73
Hydrochloric Acid SCHEMBL30792521 0.73
SCHEMBL27494614 0.72
Hydrochloric Acid SCHEMBL9326011 0.70
SCHEMBL8346547 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
US-6274695-B1 THIN FILM POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-14 US disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed