SCHEMBL28182768

SCHEMBL28182768

O=C(CO[PH](=O)O)c1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.49
▸ WNT3A P56704 7/20 0.49
▸ PRKCI P41743 1/20 0.49
▸ TAS1R3 Q7RTX0 3/20 0.46
▸ TAS1R1 Q7RTX1 3/20 0.46
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ACHE P22303 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL28182766 0.90 CTNNB1 (0.50) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL28182793 0.79 MEN1 (0.57) CTNNB1WNT3ARAB9ANPC1MEN1
SCHEMBL14044259 0.78 PRKCI (0.58) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL1182701 0.77 PRKCI (0.57) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL6181845 0.77 PRKCI (0.57) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL1091802 0.77 ATM (0.69) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL28182836 0.76 CTNNB1 (0.37) CTNNB1WNT3ATAS1R3TAS1R1HDAC3
SCHEMBL13516241 0.75 MEN1 (0.63) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL15088740 0.74 CTNNB1 (0.60) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL11022828 0.74 HPGD (0.70) CTNNB1WNT3APRKCITAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 — — CN disclosed
CN-107383024-A The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2017-11-24 — — CN disclosed
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