SCHEMBL14175129

SCHEMBL14175129

C=C(c1ccccc1)c1cccc(C(C)(F)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
CES2 O00748 1/20 0.45
LMNA P02545 1/20 0.43
SRD5A2 P31213 1/20 0.42
MAOB P27338 1/20 0.41
KCNK3 O14649 1/20 0.41
VNN1 O95497 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
KAT6A Q92794 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3582412 0.84 SRD5A2 (0.59) ACHECES2LMNASRD5A2VNN1
SCHEMBL32670780 0.84 SRD5A2 (0.59) ACHECES2LMNASRD5A2VNN1
SCHEMBL28562659 0.80 CES2 (0.58) CES2LMNASRD5A2MAOBKCNK3
SCHEMBL4517127 0.77 MAPT (0.50) ACHEALDH1A1KMT2A
SCHEMBL4517129 0.77 MAPT (0.50) ACHEALDH1A1KMT2A
SCHEMBL4517619 0.77 MAPT (0.50) ACHEALDH1A1KMT2A
SCHEMBL16033121 0.77 KMT2A (0.42) ACHECES2LMNASRD5A2MAOB
SCHEMBL31560802 0.75 PTPN5 (0.45) ACHELMNAKCNK3MEN1KMT2A
SCHEMBL31560818 0.75 KCNN4 (0.53) ACHECES2
SCHEMBL16032904 0.74 KMT2A (0.40) ACHEMEN1KMT2A

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
WO-2008075184-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2008-06-26 WO disclosed