SCHEMBL7136172

SCHEMBL7136172

C=C(Cc1ccc(C2CCC(C)(C)CC2)cc1Cl)N(CC)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CCR5 P51681 1/20 0.31
PPARD Q03181 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7136175 0.74 PPARG (0.33) PPARGPPARAPPARDSLC6A2SLC6A4
SCHEMBL2638524 0.74 OPRL1 (0.35) PPARGPPARA
SCHEMBL7136179 0.73 PPARG (0.33) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL7144413 0.71 SIGMAR1 (0.39) TSHRMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7512388 0.70 MEN1 (0.44) TSHRMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7517078 0.70 SIGMAR1 (0.38) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL22032844 0.70 SIGMAR1 (0.48) TSHRMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL18167506 0.69 SIGMAR1 (0.47) TSHRMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7517660 0.68 L3MBTL1 (0.45) TSHRMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7512579 0.68 SIGMAR1 (0.36) TSHRPPARGPPARASIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP claimed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US claimed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed