SCHEMBL6947332

SCHEMBL6947332

O=[C]OC(C(=O)CC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
HTR2A P28223 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
GBA1 P04062 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 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
SCHEMBL755810 0.82 KMT2A (0.45) TSHRCYP1A2CA1CA2KMT2A
SCHEMBL9709460 0.77 CYP1A2 (0.43) TSHRCYP1A2KMT2APOLB
SCHEMBL9698745 0.77 KMT2A (0.43) TSHRCYP1A2HTR2AKMT2APOLB
SCHEMBL10435405 0.77 POLB (0.39) TSHRCYP1A2KMT2APOLB
SCHEMBL28061290 0.77 CYP1A2 (0.42) TSHRCYP1A2KMT2APOLBMAPT
SCHEMBL15463430 0.75 CYP1A2 (0.38) TSHRCYP1A2POLB
SCHEMBL653721 0.75 POLB (0.38) TSHRCYP1A2KMT2APOLB
SCHEMBL4906912 0.75 CYP1A2 (0.41) TSHRCYP1A2KMT2APOLBMAPT
SCHEMBL3938274 0.74 HTR2A (0.40) TSHRCYP1A2HTR2ACA1CA2
SCHEMBL28152768 0.74 KMT2A (0.39) KMT2AFABP7FABP5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP claimed
EP-0885189-B1 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2002-08-28 EP claimed