SCHEMBL9514100

SCHEMBL9514100

CC(C)c1cccc(C(C)C)c1OP(F)Oc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL10494501 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL7856764 0.82 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9514112 0.79 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9068743 0.78 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28358543 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL10494510 0.76 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20696113 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20696106 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL8632032 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9271255 0.74 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2TSHR

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
EP-0301355-B1 Aqueous aryl fluorophosphite suspension ETHYL CORP (US) 1993-12-29 EP disclosed
US-4867907-A POLYMER STABILIZERS ETHYL CORPORATION (US) 1989-09-19 US disclosed
EP-0301355-A2 Aqueous aryl fluorophosphite suspension ETHYL CORPORATION (US) 1989-02-01 EP disclosed