SCHEMBL7033022

SCHEMBL7033022

CC(C)c1ccc(Cl)c(C(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.48
GABRB1 P18505 5/20 0.48
LMNA P02545 4/20 0.48
GABRB2 P47870 4/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2B P41595 2/20 0.48
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRG2 P18507 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2C P28335 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL24451056 0.82 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL10611980 0.81 GABRA1 (0.56) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL24451054 0.80 CYP3A4 (0.41) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL15082631 0.79 LMNA (0.35) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL6679675 0.77 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL11709410 0.77 LMNA (0.34) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL16528064 0.77 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL2597775 0.77 GABRA1 (0.46) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL30411767 0.76 GABRA1 (0.50) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL1487336 0.76 GABRA1 (0.50) GABRA1GABRB1LMNAGABRB2CA1

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
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP claimed