SCHEMBL23438273

SCHEMBL23438273

CC1=NN(c2ccc(C)c(C)c2)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ GAA P10253 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL27387438 0.77 MAPT (0.46) ALDH1A1MAPTGAAKDM4ECYP3A4
SCHEMBL28207258 0.76 TSHR (0.36) NOTUMADRB1ALDH1A1MAPTGAA
SCHEMBL30008614 0.63 ADRB1 (0.44) NOTUMADRB1ALDH1A1MAPTGAA
SCHEMBL31415059 0.63 ADRB1 (0.44) NOTUMADRB1ALDH1A1MAPTGAA
SCHEMBL22062337 0.63 — —
Hydrochloric Acid SCHEMBL11037952 0.62 ALDH1A1 (0.40) NOTUMADRB1ALDH1A1MAPTGAA
SCHEMBL29546133 0.61 MAPT (0.63) ALDH1A1MAPTGAAKDM4ECYP3A4
SCHEMBL4663211 0.61 MAPT (0.63) ALDH1A1MAPTGAAKDM4ECYP3A4
SCHEMBL20663324 0.61 PRKCZ (0.41) ADRB1ALDH1A1MAPTGAAKDM4E
SCHEMBL16673109 0.59 PRKCZ (0.45) ADRB1ALDH1A1MAPTTSHRNPSR1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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