SCHEMBL24425967

SCHEMBL24425967

Cc1ccc(C2(F)CC2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
CCR2 P41597 2/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
ALDH1A1 P00352 2/20 0.36
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.32
MGAT2 Q10469 1/20 0.31
ADRB1 P08588 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30

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
SCHEMBL12583454 0.83 AKR1B10 (0.49) ESR1ESR2AKR1B10AKR1C4AKR1C3
SCHEMBL16186302 0.81 CYP2C19 (0.34) CYP2C19CCR2ESR1ESR2ALDH1A1
SCHEMBL17282342 0.75 AKR1B10 (0.47) ESR1ESR2AKR1B10AKR1C4AKR1C3
SCHEMBL3587056 0.73 MAOB (0.52) ALDH1A1MAOBMAOAACHETDP1
SCHEMBL9848314 0.73 ALDH1A1 (0.36) CYP2C19CCR2ESR1ESR2ALDH1A1
SCHEMBL17282333 0.71 AKR1B10 (0.43) ALDH1A1AKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL26435127 0.71 ESR1 (0.69) CYP2C19CCR2ESR1ESR2ALDH1A1
SCHEMBL21387376 0.71 ESR1 (0.69) CYP2C19CCR2ESR1ESR2ALDH1A1
SCHEMBL19675546 0.69 ESR1 (0.33) ESR1ESR2LMNA
SCHEMBL17031428 0.68 OPRM1 (0.46) CYP2C19MGAT2

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-3998070-A1 MIR-124 AS A BIOMARKER FOR THE TREATMENT OF INFLAMMATORY DISEASES ABIVAX (FR) 2022-05-18 EP disclosed