SCHEMBL9816248

SCHEMBL9816248

C=CC(=O)C(C=C)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL19230439 0.79
Hydrochloric Acid SCHEMBL27514634 0.77 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL8945798 0.77
SCHEMBL4874994 0.77
SCHEMBL13817718 0.75
SCHEMBL29270414 0.72
SCHEMBL18889121 0.71 SMN1; SMN2 (0.36) TSHR
SCHEMBL3434192 0.71 LMNA (0.32) LMNA
SCHEMBL3258240 0.70 TDP1 (0.35) ALDH1A1TSHR
SCHEMBL28273633 0.69 SMN1; SMN2 (0.33) TSHR

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-0233706-B1 HALOGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1991-09-11 EP disclosed
US-4865763-A LOW TEMPERATURE STABILITY CHISSO CORPORATION (JP) 1989-09-12 US disclosed
US-4765924-A SMECTIC PHASE FORMING INHIBITION CHISSO CORPORATION (JP) 1988-08-23 US disclosed