SCHEMBL14280822

SCHEMBL14280822

CCc1cccc(CC)c1/N=C(\C)c1ccc(/C(C)=N/c2c(CC)cccc2CC)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
SLC9A1 P19634 1/20 0.36
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR4 O95977 3/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTRC Q99895 1/20 0.32
PLAU P00749 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL5588307 0.84 PLAU (0.34) ALDH1A1SIGMAR1GAAPLAU
SCHEMBL5588302 0.84 PLAU (0.34) ALDH1A1SIGMAR1GAAPLAU
SCHEMBL12379936 0.77 GABRA1 (0.52) GABRA1GABRB2ELANELMNAALDH1A1
SCHEMBL5590288 0.76 GRIN2D (0.42) SLC9A1LMNAALDH1A1S1PR4POLB
SCHEMBL5590290 0.76 GRIN2D (0.42) SLC9A1LMNAALDH1A1S1PR4POLB
SCHEMBL4883849 0.75 GABRA1 (0.43) GABRA1GABRB2ELANELMNAALDH1A1
SCHEMBL4883854 0.75 GABRA1 (0.43) GABRA1GABRB2ELANELMNAALDH1A1
SCHEMBL5693508 0.74 GABRA1 (0.42) GABRA1GABRB2LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7175505 0.74 GABRA1 (0.42) GABRA1GABRB2ELANELMNAALDH1A1
SCHEMBL5590407 0.74 GABRA1 (0.42) GABRA1GABRB2ELANELMNAALDH1A1

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-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed