SCHEMBL9005966

SCHEMBL9005966

C=CCc1ccc([Zn])cc1.[BaH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ XDH P47989 1/20 0.46
▸ GABRA1 P14867 5/20 0.45
▸ GABRB2 P47870 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CNR2 P34972 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH2 P05091 1/20 0.45

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
SCHEMBL173301 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL2499807 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL5496256 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL7816450 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10693711 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL584333 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL6284374 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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-5571588-A DECORATIVE COVERINGS FOR FLOORS TARKETT INC. (US) 1996-11-05 — — US disclosed
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