SCHEMBL10486191

SCHEMBL10486191

CCc1cccc(C(C)CC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.59
GABRB2 P47870 5/20 0.59
TSHR P16473 2/20 0.57
GABRG2 P18507 2/20 0.43
GABRB3 P28472 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
SCHEMBL561299 0.86 TSHR (0.68) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL202738 0.86 TSHR (0.68) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL560346 0.86 TSHR (0.68) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL560318 0.86 TSHR (0.68) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL6870041 0.85 TSHR (0.53) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL13405960 0.84 TSHR (0.49) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL4459158 0.84 GABRA1 (0.64) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL920328 0.84 GABRA1 (0.64) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL9162954 0.84 GABRA1 (0.64) GABRA1GABRB2TSHRGABRG2GABRB3
Hydrochloric Acid SCHEMBL7076051 0.84 TSHR (0.65) GABRA1GABRB2TSHRGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861914-A 2,6-DI-TERT-BUTYL-P-CRESOL ETHYL CORPORATION (US) 1989-08-29 US disclosed
US-4754077-A HINDERED PHENOLS, METHANOL, FORMALDEHYDE, PHENOL COMPOUND, MANNICH BASE CATALYST ETHYL CORPORATION (US) 1988-06-28 US disclosed
EP-0216213-A2 Discoloration inhibitor for aromatic amines ETHYL CORPORATION (US) 1987-04-01 EP disclosed
EP-0116712-B1 SYNTHESIS OF HINDERED PHENOLS ETHYL CORPORATION (US) 1987-03-25 EP disclosed
EP-0116712-A1 Synthesis of hindered phenols ETHYL CORPORATION (US) 1984-08-29 EP disclosed
WO-1984002336-A1 ANTIOXIDANT SYNTHESIS ETHYL CORP (US) 1984-06-21 WO disclosed