SCHEMBL9844162

SCHEMBL9844162

Cc1cc(C)c(CC(=O)N(c2ccc(Cl)cc2)[C@@H](C)C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MDM2 Q00987 4/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8744763 0.87 RORC (0.39) CNR2CNR1TSHRHTR2AMDM2
SCHEMBL6531075 0.74 LMNA (0.40) TSHRMDM2TP53SMN1; SMN2LMNA
SCHEMBL8744741 0.72 KDM4E (0.33) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL6533143 0.71 ALDH1A1 (0.39) TSHRMDM2TP53SMN1; SMN2LMNA
SCHEMBL9594867 0.70 ALDH1A1 (0.39) TSHRHTR2AHTR2CHTR2BTP53
SCHEMBL9555055 0.68 ALDH1A1 (0.50) CNR2TSHRTP53SMN1; SMN2LMNA
SCHEMBL9321131 0.68 CA12 (0.40) CNR2TP53SMN1; SMN2
SCHEMBL7801107 0.67 ALDH1A1 (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL7402365 0.67 ALDH1A1 (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2276227 0.67 MT-CO2 (0.45) CNR1TSHRHTR2AHTR2CMDM2

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
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed