SCHEMBL8047306

SCHEMBL8047306

CC(C)c1[c]c(C(C)C)c(-c2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL5710969 0.82 CA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL18419898 0.81 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL7706483 0.76 CDC25A (0.34) LMNACYP1A2HPGDTSHRPTGS1
SCHEMBL6262323 0.74 LMNA (0.31) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL8047307 0.72 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL18007602 0.71 LMNA (0.33) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL6679695 0.71 AKR1C3 (0.39) CA1CA2HPGDTSHR
SCHEMBL28926455 0.70 PTPRC (0.38) LMNACYP1A2HPGDTSHRPTGS1
SCHEMBL22686111 0.69 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL2048068 0.68 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2FAAH

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-6063881-A USING COBALT COMPLEXES OF PYRIDINEBIS(IMINES) AS CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-16 US disclosed