SCHEMBL27499452

SCHEMBL27499452

[CH2]/C=C/c1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.55
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ MAOA P21397 2/20 0.46
▸ TRPA1 O75762 2/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL5966228 0.97 — —
SCHEMBL2340 0.97 — —
SCHEMBL2341 0.97 — —
SCHEMBL27861093 0.94 — —
Water SCHEMBL28448011 0.94 MAOB (0.55) MAOBALDH1A1TSHRLMNANFE2L2
SCHEMBL23630615 0.94 MAOB (0.55) MAOBALDH1A1TSHRLMNANFE2L2
SCHEMBL28627434 0.94 MAOB (0.55) MAOBALDH1A1TSHRLMNANFE2L2
SCHEMBL8428975 0.94 MAOB (0.55) MAOBALDH1A1TSHRLMNANFE2L2
SCHEMBL28440624 0.89 MAOB (0.50) MAOBALDH1A1TSHRLMNANFE2L2
SCHEMBL17002705 0.89 MAOB (0.50) MAOBALDH1A1TSHRLMNANFE2L2

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
CN-1227496-A Screening method for compounds useful in the regulation of body weight MILLENNIUM PHARM INC (US) 1999-09-01 — — CN disclosed
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