SCHEMBL11067932

SCHEMBL11067932

N#CCCc1cccc(Cl)c1N1C(=O)C2=C(CCCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ELANE P08246 2/20 0.32
P2RX7 Q99572 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 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
SCHEMBL11067296 0.77 PPOX (0.40) ALDH1A1
SCHEMBL4987170 0.67 TAAR1 (0.57) ALDH1A1P2RX7TSHR
SCHEMBL1343862 0.67 TAAR1 (0.54)
SCHEMBL11013103 0.64 PPOX (0.38)
SCHEMBL11386520 0.63 ELANE (0.34) ALDH1A1ELANETSHR
SCHEMBL21737241 0.62 KMT2A (0.40) ALDH1A1
SCHEMBL11410260 0.61 GLA (0.51) HSD11B1GAA
SCHEMBL1720842 0.61 TAAR1 (0.52) HSD11B1ALDH1A1GAATSHR
SCHEMBL11013820 0.61 PPOX (0.39) ALDH1A1
SCHEMBL8764227 0.60 MEN1 (0.52) ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed