SCHEMBL24935607

SCHEMBL24935607

CC(=O)COCCC(F)(F)COc1ccc(C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
AAK1 Q2M2I8 1/20 0.36
FFAR1 O14842 4/20 0.36
CYP2C9 P11712 2/20 0.36
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34
PPARA Q07869 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34

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 0.90 MRGPRX4 (0.41) MRGPRX4FFAR1CYP2C9TDP1SMN1; SMN2
SCHEMBL24935609 0.85 FFAR1 (0.37) MRGPRX4AAK1FFAR1ALDH1A1
SCHEMBL24934755 0.76 MRGPRX4 (0.41) MRGPRX4AAK1FFAR1SMN1; SMN2HPGD
SCHEMBL25063906 0.74 FFAR1 (0.37) MRGPRX4AAK1FFAR1KDM4E
SCHEMBL24935653 0.74 MAPT (0.36) MRGPRX4CYP2C9TDP1SMN1; SMN2TTR
SCHEMBL24935230 0.73 MRGPRX4 (0.46) MRGPRX4FFAR1PTGDR2
SCHEMBL24935659 0.73 MRGPRX4 (0.44) MRGPRX4FFAR1SMN1; SMN2TSHRPTGDR2
SCHEMBL27051686 0.73 MRGPRX4 (0.41) MRGPRX4AAK1FFAR1CYP2C9ALDH1A1
SCHEMBL24935148 0.73 L3MBTL1 (0.45) CYP2C9CYP1A2PPARAHPGD
SCHEMBL24935009 0.72 PPARD (0.37) CYP2C9CYP1A2KDM4EHPGDALDH1A1

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