SCHEMBL7229461

SCHEMBL7229461

CC(C)c1c[c]c(O)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.47
GABRB2 P47870 4/20 0.47
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GABRB1 P18505 4/20 0.35
LMNA P02545 3/20 0.33
PTGS1 P23219 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
TRPA1 O75762 2/20 0.33
HIF1A Q16665 2/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 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
SCHEMBL28324731 0.78 PTGS1 (0.42) GABRA1GABRB2CA1CA2LMNA
SCHEMBL28207929 0.76 GABRA1 (0.39) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL5095128 0.76 GABRA1 (0.39) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL94533 0.69 GABRA1 (0.77) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3602717 0.68 TYR (0.40) GABRA1GABRB2CA1CA2GABRB1
Ammonia Solution, Strong SCHEMBL28098766 0.67 GABRA1 (0.74) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28199640 0.66 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL224395 0.64 ALOX12 (0.59) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL8649694 0.64 LMNA (0.37) LMNAPTGS1TRPA1CACNA1C
SCHEMBL16957307 0.64 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534518-B1 Phosphodiesterase inhibitors for respiratory system disorders ALTANA PHARMA AG (DE) 2003-03-18 US disclosed
EP-1163226-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-12-19 EP disclosed
WO-2000042018-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed