SCHEMBL28016609

SCHEMBL28016609

CCOC(=O)C(c1ccc(F)cc1)C(C)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11932093 1.00 MAPT (0.41) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL16748974 1.00 MAPT (0.41) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL11932087 0.89 KMT2A (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL517023 0.89 KMT2A (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL6899887 0.89 SMN1; SMN2 (0.47) MEN1KMT2ALMNACYP2C9KDM4E
SCHEMBL10347036 0.87 ABCB11 (0.42) MAPTNPSR1LMNACYP1A2KDM4E
SCHEMBL9899896 0.87 HDAC4 (0.42) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL1907200 0.87 ABCB11 (0.42) MAPTNPSR1LMNACYP1A2KDM4E
SCHEMBL9904051 0.87 HDAC4 (0.42) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL11932088 0.87 POLB (0.46) MAPTNPSR1MEN1KMT2AKDM4E

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-103492361-B Substituted 1-benzylcycloalkylcarboxlic acids and use thereof BAYER IP GMBH 2015-07-15 CN disclosed