SCHEMBL10782824

SCHEMBL10782824

Cc1cc(C(C)C)cc(Cc2cc(C(C)C)cc(C(C)C)c2N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9863794 0.93 ALDH1A1 (0.39) FABP3FABP4FABP5ALDH1A1CYP1A2
SCHEMBL10781624 0.92 FABP3 (0.35) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9864155 0.91 FABP4 (0.44) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9863694 0.88 POLB (0.44) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9864156 0.86 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL24115940 0.85 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9863731 0.82 FABP3 (0.42) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9864117 0.80 ALDH1A1 (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL21546205 0.79 FABP4 (0.46) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9863691 0.78 USP2 (0.36) FABP3FABP4FABP5GABRA1GABRB2

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-4698371-A REACTION INJECTION MOLDING BASF AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed