SCHEMBL24935653

SCHEMBL24935653

CCCOCC(F)(F)CCOc1ccc(C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
L3MBTL1 Q9Y468 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 4/20 0.33
KDM4E B2RXH2 3/20 0.33
KDM1A O60341 2/20 0.33
THRB P10828 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
S1PR1 P21453 2/20 0.32
THRA P10827 1/20 0.32
ESR1 P03372 1/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL24935781 0.82 MRGPRX4 (0.41) MAPTALDH1A1MRGPRX4L3MBTL1SMN1; SMN2
SCHEMBL14293809 0.81 MAPT (0.50) MAPTALDH1A1POLBGPR55MRGPRX4
SCHEMBL24935186 0.80 MRGPRX4 (0.44) MAPTALDH1A1POLBGPR55MRGPRX4
SCHEMBL20207970 0.76 MRGPRX4 (0.43) MAPTALDH1A1POLBMRGPRX4L3MBTL1
SCHEMBL8361632 0.76 MAPT (0.47) MAPTALDH1A1POLBGPR55MRGPRX4
SCHEMBL15004597 0.75 APP (0.43) MAPTALDH1A1POLBMRGPRX4L3MBTL1
SCHEMBL13478850 0.75 MAPT (0.52) MAPTALDH1A1MRGPRX4L3MBTL1TDP1
SCHEMBL24935607 0.74 MRGPRX4 (0.41) ALDH1A1MRGPRX4SMN1; SMN2TDP1KDM4E
SCHEMBL18896188 0.73 THRB (0.52) MAPTALDH1A1MRGPRX4L3MBTL1TDP1
SCHEMBL12017785 0.73 MRGPRX4 (0.44) MAPTALDH1A1MRGPRX4L3MBTL1KDM4E

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
EP-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed