SCHEMBL22444729

SCHEMBL22444729

CNC(CCc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
ALDH1A1 P00352 2/20 0.53
F2RL1 P55085 1/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MMP3 P08254 2/20 0.50
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
ALOX5 P09917 1/20 0.48
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL20467759 1.00 LDHA (0.54) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL16078668 1.00 LDHA (0.54) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL31688966 0.91 LDHA (0.51) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL16063574 0.86 MME (0.43) LDHAALDH1A1F2RL1KMT2AMMP3
SCHEMBL16116803 0.86 ACACB (0.53) ALDH1A1SMN1; SMN2FFAR1
SCHEMBL27349990 0.85 ALDH1A1 (0.54) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL6401372 0.85 ALDH1A1 (0.54) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL8315015 0.85 ALDH1A1 (0.54) LDHAALDH1A1F2RL1KMT2ASMN1; SMN2
SCHEMBL22444651 0.85 KDM4E (0.53) KMT2A
SCHEMBL18606675 0.85 KDM4E (0.53) KMT2A

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
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed