SCHEMBL28236423

SCHEMBL28236423

NN[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ SRR Q9GZT4 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ ANPEP P15144 2/20 0.43
▸ POLB P06746 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ GPR132 Q9UNW8 1/20 0.42
▸ GAA P10253 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
SCHEMBL27939979 0.85 MEN1 (0.50) ALDH1A1CYP2C9CYP2C19KMT2ARAB9A
SCHEMBL27479297 0.84 ATM (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL25432537 0.83 ATM (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL16577155 0.83 ATM (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28144799 0.83 PPARG (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28051815 0.83 ATM (0.47) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8648806 0.82 POLB (0.56) ALDH1A1POLBCTSLLAP3
Methyl Alcohol SCHEMBL27448266 0.82 ATM (0.60) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27636784 0.81 EPHX1 (0.51) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27703700 0.81 TACR1 (0.61) GNPATATMALDH1A1THRBCYP2C9

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
CN-108430497-A Sugar-targeted therapeutic agents 洛桑聚合联合学院 2018-08-21 — — CN disclosed
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