SCHEMBL9727233

SCHEMBL9727233

COC(=O)C(OC(=O)NC(CSC(C)=O)Cc1ccccc1C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PPARA Q07869 4/20 0.35
PPARG P37231 2/20 0.35
KMT2A Q03164 1/20 0.35
OPRK1 P41145 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC3 O15438 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
NR3C1 P04150 1/20 0.34
RARG P13631 1/20 0.34
CNR1 P21554 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NR1I3 Q14994 1/20 0.34
MME P08473 2/20 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
SCHEMBL9727232 1.00 LMNA (0.43) LMNAPPARAPPARGKMT2AOPRK1
SCHEMBL7398409 0.81 CTRB1 (0.51) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL9727406 0.78 LMNA (0.45) LMNAPPARAPPARGMME
SCHEMBL9727410 0.78 LMNA (0.45) LMNAPPARAPPARGMME
SCHEMBL9727172 0.78 NLRP3 (0.48) PPARAOPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL9727344 0.75 MAPT (0.42) PPARAPPARGKMT2ACYP3A4CYP2C9
SCHEMBL9727438 0.74 PAM (0.41) PPARAPPARGOPRK1CYP1A2CYP3A4
SCHEMBL9459542 0.74 MAPT (0.45) LMNAPPARGKMT2ACYP1A2CYP3A4
SCHEMBL9459549 0.74 LMNA (0.40) LMNAPPARAPPARGKMT2ACYP1A2
SCHEMBL9727210 0.73 ALDH1A1 (0.38) LMNAPPARAPPARGKMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed