SCHEMBL9503906

SCHEMBL9503906

Cc1cc(Cl)cc(Cl)c1OCCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
FFAR4 Q5NUL3 3/20 0.50
CYP3A4 P08684 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.46
HPGD P15428 3/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL1890174 0.82 KDM4E (0.57) KDM4ETDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL8301653 0.78 KDM4E (0.56) KDM4ETDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL9501831 0.78 POLB (0.56) KDM4EMAPTL3MBTL1FFAR4CYP3A4
SCHEMBL7978808 0.77 FFAR4 (0.47) KDM4ETDP1MAPTFFAR4CYP3A4
SCHEMBL7979198 0.76 MCL1 (0.46) KDM4ETDP1MAPTFFAR4CYP3A4
SCHEMBL11426213 0.76 MCL1 (0.51) KDM4ETDP1L3MBTL1MRGPRX4FFAR4
Mcpb SCHEMBL29355091 0.75 KDM4E (0.72) KDM4EMAPTSMN1; SMN2CYP3A4ALDH1A1
Mcpb SCHEMBL117879 0.75 KDM4E (0.72) KDM4EMAPTSMN1; SMN2CYP3A4ALDH1A1
Mcpb SCHEMBL29150193 0.75 KDM4E (0.72) KDM4EMAPTSMN1; SMN2CYP3A4ALDH1A1
Mcpb SCHEMBL5250457 0.74 KDM4E (0.70) KDM4EMAPTSMN1; SMN2CYP3A4ALDH1A1

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-0539462-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1993-05-05 EP disclosed
WO-1992001663-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1992-02-06 WO disclosed