SCHEMBL6440977

SCHEMBL6440977

CC=Cc1ccc(CC(Cl)C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
HTT P42858 3/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL29138730 0.77 FAAH (0.44) LMNATP53TSHRALDH1A1MEN1
SCHEMBL1943947 0.75 NPC1 (0.47) LMNATP53TSHRALDH1A1CYP3A4
SCHEMBL10974668 0.75 SLC6A4 (0.50) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL1943946 0.75 NPC1 (0.47) LMNATP53TSHRALDH1A1CYP3A4
SCHEMBL10394744 0.75 NPC1 (0.47) LMNATP53TSHRALDH1A1CYP3A4
SCHEMBL10974742 0.73 MME (0.40) TP53TSHRMEN1KMT2A
SCHEMBL4011260 0.73 TRPA1 (0.41) LMNA
SCHEMBL1951994 0.73 LDHA (0.53) TP53TSHRALDH1A1CYP3A4KDM4E
SCHEMBL15317143 0.72 EPHX1 (0.50) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL3045013 0.72 EPHX1 (0.50) LMNAALDH1A1MEN1KMT2ANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590314-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe' S.P.A. (IT) 2005-11-02 EP disclosed
WO-2004069782-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2004-08-19 WO disclosed