SCHEMBL7136175

SCHEMBL7136175

C=C(Cc1ccc(C2CCC(C)(C)CC2)cc1Cl)C(CN)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
METAP2 P50579 2/20 0.32
PPARD Q03181 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7136179 0.76 PPARG (0.33) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL7136172 0.74 TSHR (0.35) PPARGPPARAPPARDCYP2D6SLC6A2
SCHEMBL2638524 0.73 OPRL1 (0.35) PPARGPPARAMETAP2
SCHEMBL7144422 0.71 SIGMAR1 (0.31) METAP2CYP2D6
Hydrochloric Acid SCHEMBL7512395 0.70 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7517090 0.70 OPRK1 (0.32) CYP2D6
Hydrochloric Acid SCHEMBL7512586 0.69 PPARG (0.30) PPARGPPARA
SCHEMBL5213321 0.65 ESR2 (0.45) PPARGPPARACYP2D6
SCHEMBL7143023 0.64 P2RX7 (0.32)
SCHEMBL7136149 0.62

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