SCHEMBL11224860

SCHEMBL11224860

O=Cc1cccc(Oc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 8/20 0.80
▸ MAOB P27338 8/20 0.80
▸ RAB9A P51151 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ LCK P06239 1/20 0.62
▸ CCNB2 O95067 1/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ CDK4 P11802 1/20 0.59
▸ CCNB1 P14635 1/20 0.59
▸ CCND1 P24385 1/20 0.59
▸ CCNB3 Q8WWL7 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ FFAR1 O14842 4/20 0.54
▸ FFAR4 Q5NUL3 2/20 0.54
▸ TLR4 O00206 1/20 0.52
▸ TLR2 O60603 1/20 0.52

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
SCHEMBL8585674 0.95 MAOB (0.88) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL11227317 0.93 MAOA (0.82) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL314161 0.89 MAOB (1.00) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL29454637 0.89 MAOB (1.00) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL1883702 0.88 MAOB (0.70) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL12577967 0.88 RAB9A (0.62) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL3083923 0.86 MAOA (0.81) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL1222314 0.86 RAB9A (0.62) MAOAMAOBRAB9ALCKKDM4E
SCHEMBL11222905 0.86 MAOB (0.59) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6504175 0.84 MAOA (0.73) MAOAMAOBRAB9ANPC1TDP1

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
EP-0052836-A1 Phenoxybenzaldehydes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-02 — — EP disclosed
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