SCHEMBL27811786

SCHEMBL27811786

C=Cc1ccc(C[n+]2ccc(C=Cc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.49
▸ KDM2A Q9Y2K7 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CHAT P28329 2/20 0.43
▸ CHKA P35790 7/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
Styrene SCHEMBL6464874 0.90 ALDH1A1 (0.54) ALDH1A1TSHRCA1CA2CHKA
SCHEMBL3944502 0.88 CHKA (0.52) ALDH1A1TSHRCA1CA2CHKA
Hydrochloric Acid SCHEMBL3761813 0.86 ALDH1A1 (0.51) ALDH1A1TSHRCA1CA2CHKA
Bromide SCHEMBL5070701 0.86 CHKA (0.53) ALDH1A1TSHRCA1CA2CHKA
SCHEMBL12530155 0.85 KDM4A (0.51) KDM4AKDM2AALDH1A1CA1CA2
SCHEMBL13996861 0.85 ALDH1A1 (0.56) ALDH1A1TSHRCA1CA2CHKA
SCHEMBL17686001 0.84 BCHE (0.48) KDM4AKDM2AALDH1A1TSHRCA1
Hydrochloric Acid SCHEMBL30007947 0.83 ALDH1A1 (0.58) ALDH1A1TSHRCA1CA2CHKA
Bromide SCHEMBL30071025 0.82 ACHE (0.52) ALDH1A1TSHRCA1CA2CHKA
Iodide SCHEMBL30070986 0.82 BCHE (0.47) KDM4AKDM2AALDH1A1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101914225-A Method for preparing hyaluronic acid gel by using macromolecule photocrosslinking agent UNIV JIANGNAN 2010-12-15 — — CN claimed
CN-101812182-A Preparation method of photoelectric sensitive charged nanometer particles UNIV JIANGNAN 2010-08-25 — — CN claimed
CN-101914225-A Method for preparing hyaluronic acid gel by using macromolecule photocrosslinking agent UNIV JIANGNAN 2010-12-15 — — CN disclosed
CN-101812182-A Preparation method of photoelectric sensitive charged nanometer particles UNIV JIANGNAN 2010-08-25 — — CN disclosed
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