SCHEMBL25560293

SCHEMBL25560293

C=Cc1cccc(OCC(C)(O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
EGFR P00533 1/20 0.34
ITK Q08881 1/20 0.34
MAOA P21397 5/20 0.34
MAOB P27338 5/20 0.34
CYP2C9 P11712 2/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33

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
SCHEMBL22317392 0.85 TP53 (0.36) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL24383545 0.82 CHRNB2 (0.43) TP53ALDH1A1SMN1; SMN2CYP2C19MAOB
SCHEMBL16952743 0.82 CYP2C19 (0.43) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL25560116 0.80 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL6286624 0.78 TDP1 (0.41) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL19450575 0.77 HTR1A (0.38) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL25560125 0.74 TRPA1 (0.37) ALDH1A1
SCHEMBL14369392 0.73 FURIN (0.35) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL14282533 0.73 MAPT (0.49) TDP1TP53SMN1; SMN2CYP2C19CYP3A4
SCHEMBL410570 0.73 KDM4E (0.57) TDP1TP53KDM4EALDH1A1SMN1; SMN2

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
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed