SCHEMBL9426414

SCHEMBL9426414

Cc1cc(C)c2c(C(=O)O)c3c(C)c(-c4ccccc4)c(C)cc3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
TSHR P16473 1/20 0.44
PDE10A Q9Y233 1/20 0.44
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
PRNP P04156 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 1/20 0.39
PSMB5 P28074 1/20 0.38

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
SCHEMBL9426671 0.82 ALDH1A1 (0.43) DHODHTSHRPDE10APRNPPPARG
SCHEMBL3903336 0.78 PDE10A (0.54) DHODHTSHRPDE10ALMNA
SCHEMBL6026916 0.71 FABP4 (0.43) DHODHTSHRPDE10AFABP3FABP4
SCHEMBL9426410 0.70 MAPT (0.44)
SCHEMBL10480380 0.70 PDE10A (0.58) DHODHTSHRPDE10ARXFP1LMNA
SCHEMBL1133458 0.66 PSMB5 (0.46) TSHRPPARGLMNAPSMB5
SCHEMBL31090400 0.66 MAPT (0.41) TSHRPPARGNR2E3NCOR2LMNA
Benzoic Acid SCHEMBL19875705 0.65 RXRA (0.49) TSHRPPARG
Formaldehyde SCHEMBL28364018 0.65 LMNA (0.42) PPARGLMNAPSMB5
Hydrogen Sulfide SCHEMBL21381346 0.65 PSMB5 (0.44) TSHRPPARGLMNAPSMB5

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-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US disclosed