SCHEMBL7828079

SCHEMBL7828079

O=C(O)Cc1ccc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
CYP3A4 P08684 1/20 0.51
RXRA P19793 1/20 0.51
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
MPC2 O95563 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
FFAR1 O14842 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL5805537 0.87 PPARG (0.53) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL163917 0.86 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
Hydrochloric Acid SCHEMBL2944707 0.85 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL8792213 0.84 PPARG (0.52) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL20579578 0.82 PPARG (0.69) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL7828746 0.82 PPARG (0.69) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL20579732 0.82 PPARG (0.69) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL18541516 0.81 PPARG (0.77) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL5669985 0.81 PPARG (0.77) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL18541510 0.81 PPARG (0.77) PPARGCYP3A4RXRAMPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579733-B1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF UPJOHN CO (US) 2001-06-20 EP claimed
US-5441971-A Antidiabetic agents THE UPJOHN COMPANY (US) 1995-08-15 US claimed
EP-0579733-B1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF UPJOHN CO (US) 2001-06-20 EP disclosed
US-5441971-A Antidiabetic agents THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0579733-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF PHARMACIA & UPJOHN COMPANY (US) 1994-01-26 EP disclosed
WO-1992018501-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed