SCHEMBL22201878

SCHEMBL22201878

O=C1CNC(=O)C(Cc2ccc(OCC3CO3)cc2)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GHSR Q92847 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL22191192 0.88 ALDH1A1 (0.53) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL22201743 0.88 ALDH1A1 (0.53) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL25937463 0.82 ALDH1A1 (0.47) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL25937575 0.82 ALDH1A1 (0.47) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL25937789 0.79 KMT2A (0.44) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL25937503 0.79 ALDH1A1 (0.44) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL25937488 0.76 HRH3 (0.50) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL5562954 0.76 HRH3 (0.56) HRH3ALDH1A1MAPTHTTOPRM1
SCHEMBL5562951 0.76 HRH3 (0.56) HRH3ALDH1A1MAPTHTTOPRM1
SCHEMBL9247367 0.74 TDP1 (0.63) HRH3ALDH1A1PKMLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022006023-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2022006145-A1 MODULUS MODIFIERS AND FILMS THEREOF ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2020142450-A1 POLYMER COMPOSITIONS COMPRISING COMPOUNDS DERIVED FROM BIOLOGY ZYMERGEN INC. (US) 2020-07-09 WO disclosed