SCHEMBL6570826

SCHEMBL6570826

Cc1ccc(C(C)C)c(O)c1CCCCF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
PTGS1 P23219 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL6661835 0.83 HPGD (0.41) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL6232940 0.81 LMNA (0.42) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL8172436 0.78 GABRA1 (0.46) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL27574690 0.77 GABRA1 (0.45) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL10245691 0.77 GABRA1 (0.50) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL1494556 0.71 GABRA1 (0.56) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL6229370 0.71 PTGS1 (0.39) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL17536174 0.71 CYP1A2 (0.41) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL17779974 0.70 GABRA1 (0.38) LMNASLC6A2HTR2BGABRA1GABRG2
SCHEMBL29521378 0.69 FFAR1 (0.39) LMNASLC6A2HTR2BGABRA1GABRG2

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
EP-1448668-A1 POLYMERIC, PHOSPHOROUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, ISOMERIZATION AND HYDROFORMYLATION REACTIONS E. I. du Pont de Nemours and Company (US) 2004-08-25 EP disclosed
WO-2003046049-A1 POLYMERIC, PHOSPHOROUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, ISOMERIZATION AND HYDROFORMYLATION REACTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 WO disclosed