SCHEMBL20214743

SCHEMBL20214743

CCOC(=O)CC(=O)C(C)NC(=O)c1ccc(C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
NLRP3 Q96P20 1/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KAT6A Q92794 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSB P07858 1/20 0.36
MAP3K5 Q99683 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL12121133 0.79 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2LOXL2LMNA
SCHEMBL820914 0.79 MAPT (0.48) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL12692656 0.78 NLRP3 (0.44) LOXL2LMNANLRP3CYP1A2CYP2C9
SCHEMBL820918 0.78 HDAC1 (0.50) TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL820885 0.73 SMN1; SMN2 (0.49) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13008025 0.73 NLRP3 (0.44) NLRP3POLBCYP1A2CYP2C9CYP2C19
SCHEMBL820929 0.72 EPHX2 (0.47) LMNAITGB3ITGA2BPOLBCYP1A2
SCHEMBL7222675 0.72 TSHR (0.53) LMNAPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL12121033 0.70 LOXL2 (0.49) LOXL2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL14702328 0.70 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2LMNAPOLB

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-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed