SCHEMBL9634809

SCHEMBL9634809

COc1ccc(Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.68
CYP1A2 P05177 2/20 0.61
CYP2A6 P11509 2/20 0.61
CETP P11597 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
PDE10A Q9Y233 4/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CYP17A1 P05093 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL15662821 0.85 CYP1A2 (0.61) LTA4HCYP1A2CYP2A6MEN1KMT2A
SCHEMBL2838141 0.83 CYP1A2 (0.65) CYP1A2CYP2A6KMT2A
SCHEMBL10970519 0.82 LTA4H (0.76) LTA4HHTTSMN1; SMN2TDP1
SCHEMBL598561 0.81 CYP1A2 (0.58) LTA4HCYP1A2CYP2A6KMT2A
SCHEMBL570480 0.81 LTA4H (1.00) LTA4HMEN1KMT2AHTTL3MBTL1
SCHEMBL29417927 0.81 CYP1A2 (0.58) LTA4HCYP1A2CYP2A6KMT2A
SCHEMBL27884 0.81 LTA4H (0.81) LTA4HLMNASMN1; SMN2
SCHEMBL25986524 0.81 LTA4H (0.81) LTA4HLMNASMN1; SMN2
SCHEMBL1425001 0.81 LTA4H (0.81) LTA4HLMNASMN1; SMN2
SCHEMBL18074057 0.81 LTA4H (0.53) LTA4HCYP1A2CYP2A6CETPMEN1

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
WO-2022263800-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-22 WO disclosed
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed