SCHEMBL3249800

SCHEMBL3249800

CCCCCCCCCCCCCCC(=O)C(C)c1ccc(O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
HSD17B3 P37058 6/20 0.45
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40
PSMB6 P28072 1/20 0.40

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
SCHEMBL5655091 0.87 KDM4E (0.55) KDM4EHTTHSD17B3ALDH1A1HPGD
SCHEMBL5653132 0.87 KDM4E (0.55) KDM4EHTTHSD17B3ALDH1A1HPGD
SCHEMBL7599990 0.81 P2RX7 (0.48) ALDH1A1CES2
SCHEMBL18704817 0.76 TP53 (0.42) KDM4EHTTALDH1A1MAPTLMNA
SCHEMBL1744701 0.75 CA12 (0.47) KDM4EMAPTSMN1; SMN2
SCHEMBL27480140 0.74 ESR2 (0.42) HTTSMN1; SMN2
SCHEMBL5142259 0.74 TP53 (0.44) KDM4EHTTALDH1A1MAPTLMNA
SCHEMBL10938970 0.74 TP53 (0.44) KDM4EHTTALDH1A1MAPTLMNA
SCHEMBL27980958 0.73 ALDH1A1 (0.49) KDM4EHTTALDH1A1MAPTCES2
SCHEMBL10945234 0.72 ESR1 (0.42) KDM4EHTTALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed